data_2k0x_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2k0x _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.681 HG21 ' HD1' ' A' ' 56' ' ' TYR . 9.2 t . . . . . 0 N--CA 1.438 -1.048 0 N-CA-C 107.687 -1.227 . . . . 2.28 107.687 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.588 HD21 ' HA ' ' A' ' 79' ' ' ASN . 78.8 mt -91.16 127.75 36.71 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.734 -0.604 . . . . 1.62 111.021 -174.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.47 HD21 HG21 ' A' ' 78' ' ' ILE . 2.2 pt? -68.97 141.64 54.88 Favored 'General case' 0 C--O 1.251 1.148 0 N-CA-C 108.448 -0.945 . . . . 2.09 108.448 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.1 p -96.82 -170.48 2.06 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 116.066 -0.515 . . . . 1.41 110.978 -176.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.2 m -57.65 -53.92 52.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.856 -0.794 . . . . 1.31 108.856 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.76 -41.52 74.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.957 -1.02 . . . . 2.29 112.627 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -64.57 -47.87 77.11 Favored 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 123.573 0.546 . . . . 1.83 110.368 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 75' ' ' LEU . 41.4 tp -61.89 -45.0 95.64 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.234 -0.654 . . . . 1.37 109.234 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -52.37 -59.93 3.83 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.752 0.821 . . . . 3.48 111.392 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -60.27 -43.05 96.52 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.98 -0.555 . . . . 3.93 112.0 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.85 86.96 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.182 -0.463 . . . . 1.23 110.935 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.453 ' O ' ' OH ' ' A' ' 40' ' ' TYR . 37.5 tp -67.66 -30.82 70.46 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.473 -0.33 . . . . 1.18 111.757 -176.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t -72.78 -37.64 55.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.084 -0.71 . . . . 1.34 109.084 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.53 -35.66 76.53 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.295 -0.866 . . . . 2.04 111.463 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.516 ' HG ' ' HH ' ' A' ' 40' ' ' TYR . 2.7 p . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 113.23 0.826 . . . . 1.74 113.23 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 p90 . . . . . 0 CA--C 1.514 -0.421 0 CA-C-O 121.717 0.77 . . . . 0.88 109.506 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.881 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 2.8 mm? -72.96 -11.86 60.73 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.462 -0.79 . . . . 1.85 112.161 -173.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -94.47 0.4 55.33 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 120.908 0.385 . . . . 2.24 110.575 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -78.73 169.96 17.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.864 -1.162 . . . . 2.26 107.864 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD2' ' OD2' ' A' ' 69' ' ' ASP . 31.7 mtm180 -124.88 147.6 48.72 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.082 -1.047 . . . . 3.72 111.335 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.484 ' CZ ' ' HA ' ' A' ' 71' ' ' PRO . 44.2 m-85 -65.58 -35.95 82.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.937 -0.574 . . . . 0.49 111.273 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.7 -36.76 84.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.963 0.887 . . . . 2.48 109.088 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.62 -37.44 65.39 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.151 -0.931 . . . . 2.01 110.56 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.48 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.1 pt -88.18 14.51 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 111.879 0.326 . . . . 1.26 111.879 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.88 44.15 96.52 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 116.011 -0.54 . . . . 0.55 114.32 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.516 ' HH ' ' HG ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -103.77 136.94 42.52 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.527 0.679 . . . . 1.7 111.345 179.139 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 12.6 m-20 -82.52 146.54 29.17 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 114.812 -1.085 . . . . 1.89 108.234 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 64.4 m -67.86 -28.53 67.62 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.278 0.561 . . . . 0.88 110.428 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.0 mt -60.88 -38.55 86.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.367 -0.833 . . . . 2.3 108.784 172.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.18 -28.65 62.33 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.011 -0.995 . . . . 1.17 110.329 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.465 HD12 HG21 ' A' ' 68' ' ' VAL . 74.9 mt -70.0 -40.07 75.51 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.318 -0.623 . . . . 1.11 109.318 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 84.2 mtp -61.63 -43.4 98.93 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.421 -0.809 . . . . 2.29 109.19 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.56 -44.08 97.69 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.716 -0.674 . . . . 1.92 110.503 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.423 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 94.6 m -58.06 -52.34 65.93 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 115.537 -0.756 . . . . 1.11 109.505 175.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.43 -43.74 96.47 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.84 -0.618 . . . . 1.07 111.394 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.616 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -53.83 -37.78 63.95 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.756 0.822 . . . . 1.11 112.179 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.469 HH12 ' HB3' ' A' ' 17' ' ' SER . 29.7 ttp180 -68.06 -40.35 82.8 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.763 0.792 . . . . 3.14 110.523 178.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.2 mt -77.14 -28.6 54.3 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.385 -0.825 . . . . 1.18 110.915 -176.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.616 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 52.7 mt-10 -56.13 -59.21 5.25 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 123.51 0.506 . . . . 0.64 110.693 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.1 t -66.62 -34.57 78.18 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.038 -0.983 . . . . 1.78 110.534 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HA ' ' HE ' ' A' ' 55' ' ' ARG . 5.0 tpm_? -70.78 -45.52 64.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.57 0.581 . . . . 4.47 112.57 -178.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.681 ' HD1' HG21 ' A' ' 3' ' ' THR . 92.8 m-85 -104.28 -13.86 16.01 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 114.743 1.386 . . . . 1.64 114.743 -173.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.47 49.15 2.84 Favored Glycine 0 C--N 1.302 -1.326 0 C-N-CA 119.667 -1.254 . . . . 0.91 112.721 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 31.1 m -131.74 170.99 18.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 N-CA-C 108.957 -0.757 . . . . 1.79 108.957 177.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.2 p -143.11 119.86 11.18 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 108.654 -0.869 . . . . 2.04 108.654 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.497 HD13 ' HB1' ' A' ' 49' ' ' ALA . 71.8 mt -112.07 114.34 51.34 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.676 -0.49 . . . . 1.6 109.676 -176.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.532 ' HB2' HG23 ' A' ' 64' ' ' VAL . 52.3 Cg_exo -53.64 144.72 51.74 Favored 'Trans proline' 0 C--O 1.246 0.92 0 C-N-CA 122.598 2.199 . . . . 0.8 111.739 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -43.54 -53.68 5.41 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.936 1.294 . . . . 2.19 113.274 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.94 -28.04 66.28 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 113.286 0.847 . . . . 2.48 113.286 -174.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.532 HG23 ' HB2' ' A' ' 61' ' ' PRO . 61.9 t -63.13 -47.92 90.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 120.978 0.418 . . . . 1.31 110.66 -177.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 -16.03 63.99 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.933 -0.576 . . . . 1.1 111.933 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.16 -7.73 76.48 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.52 -0.848 . . . . 0.97 111.063 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -102.32 11.85 37.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.891 0.7 . . . . 4.05 112.891 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.654 HG23 HD23 ' A' ' 74' ' ' LEU . 29.9 m -101.45 112.36 34.21 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.539 0.685 . . . . 1.09 110.773 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.421 ' OD2' ' HD2' ' A' ' 34' ' ' ARG . 20.8 t70 -88.63 -39.28 14.18 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.71 -0.677 . . . . 1.88 110.862 -176.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.8 p -111.59 152.9 44.35 Favored Pre-proline 0 C--N 1.303 -1.441 0 CA-C-N 116.002 -0.544 . . . . 1.09 110.356 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.484 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 32.2 Cg_exo -60.28 -26.06 81.69 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 123.164 2.576 . . . . 0.4 112.471 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.881 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 7.8 ptp180 -62.03 -37.51 85.18 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.448 -0.342 . . . . 2.67 110.568 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.525 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 44.2 mt-10 -69.87 -43.61 71.5 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 123.293 0.371 . . . . 2.23 110.399 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.654 HD23 HG23 ' A' ' 68' ' ' VAL . 2.9 tm? -64.12 -39.69 94.57 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.38 -0.6 . . . . 1.81 109.38 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.615 ' HB2' HD21 ' A' ' 10' ' ' LEU . 46.1 tp -66.16 -43.85 85.76 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-O 121.44 0.638 . . . . 1.25 109.369 177.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.84 -27.1 67.99 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 114.783 -1.099 . . . . 0.89 110.952 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 78.7 mt -61.71 -51.12 69.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.15 -0.315 . . . . 1.63 110.15 176.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.49 HD12 HD11 ' A' ' 60' ' ' ILE . 32.7 mm -67.43 -58.08 7.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.202 -0.666 . . . . 1.29 109.202 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.588 ' HA ' HD21 ' A' ' 4' ' ' LEU . 16.3 m120 -53.2 -49.37 66.88 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.205 -0.907 . . . . 1.45 110.878 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.28 -44.62 95.26 Favored Glycine 0 N--CA 1.434 -1.478 0 CA-C-N 115.22 -0.9 . . . . 0.5 113.013 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.35 98.47 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.943 0.372 . . . . 1.17 111.159 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 56' ' ' TYR . 83.6 mt -64.76 -39.31 93.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 1.26 111.79 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.064 0 CA-C-O 121.174 0.512 . . . . 1.54 110.705 179.364 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.44 -0.945 0 CA-C-O 120.658 0.266 . . . . 2.28 110.406 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.696 HD22 ' HA ' ' A' ' 79' ' ' ASN . 84.2 mt -98.75 168.05 10.39 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.363 -0.606 . . . . 1.62 109.363 178.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.598 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? -129.03 154.13 46.93 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.84 -0.344 . . . . 2.09 110.277 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -101.05 -170.46 1.84 Allowed 'General case' 0 C--N 1.3 -1.571 0 O-C-N 123.596 0.56 . . . . 1.41 109.967 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 54.9 m -67.34 -38.75 85.37 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 122.682 0.393 . . . . 1.31 110.6 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.552 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 25.8 t70 -67.88 -30.33 69.66 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.084 0.469 . . . . 2.29 110.722 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.598 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 14.3 m-20 -68.69 -48.69 63.26 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.041 -0.726 . . . . 1.83 109.041 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.718 HD23 ' HB2' ' A' ' 75' ' ' LEU . 54.8 tp -60.01 -38.7 83.43 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.722 -0.672 . . . . 1.37 109.606 177.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.552 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 63.8 ttt180 -51.47 -60.36 3.23 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.428 1.091 . . . . 3.48 110.377 176.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 41.0 mtt180 -64.92 -33.62 76.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.02 0.438 . . . . 3.93 110.679 -176.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.4 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -67.71 -37.04 81.72 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.793 -0.639 . . . . 1.23 111.503 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.9 tp -80.78 -33.55 34.84 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.029 0.443 . . . . 1.18 110.04 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 t -53.93 -41.4 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.996 0.918 . . . . 1.34 110.894 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -56.74 -27.66 59.7 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 113.747 1.018 . . . . 2.04 113.747 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.319 -0.723 0 O-C-N 121.655 -0.653 . . . . 1.74 112.669 178.8 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 30.4 p90 . . . . . 0 N--CA 1.447 -0.625 0 CA-C-O 121.023 0.439 . . . . 0.88 110.147 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.548 ' HG ' ' HA ' ' A' ' 72' ' ' ARG . 8.4 mp -70.38 -21.39 62.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.091 0.556 . . . . 1.85 112.406 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.48 -2.13 57.32 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.802 0.689 . . . . 2.24 110.979 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.0 mt -91.1 175.19 7.04 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.416 -0.957 . . . . 2.26 108.416 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -116.99 144.31 44.73 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 109.235 -0.654 . . . . 3.72 109.235 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 71' ' ' PRO . 54.6 m-85 -65.32 -33.36 75.79 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.315 -0.402 . . . . 0.49 110.667 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.97 -39.24 81.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.982 0.801 . . . . 2.48 110.883 -179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -73.65 -38.73 64.89 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 116.462 -0.335 . . . . 2.01 110.971 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.9 pt -85.07 20.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 113.347 0.869 . . . . 1.26 113.347 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.36 7.81 87.75 Favored Glycine 0 C--N 1.316 -0.58 0 N-CA-C 114.413 0.525 . . . . 0.55 114.413 174.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -96.09 156.46 16.33 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-N 117.316 0.558 . . . . 1.7 110.662 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.561 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -141.42 171.92 13.4 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.25 -0.648 . . . . 1.89 109.25 177.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -42.29 -48.36 4.98 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 127.136 2.174 . . . . 0.88 113.299 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.15 -35.7 74.22 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.291 0.567 . . . . 2.3 111.661 -175.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.12 -28.39 65.34 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.796 0.808 . . . . 1.17 109.566 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 82.0 mt -78.3 -38.31 42.72 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.343 -0.844 . . . . 1.11 110.702 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.496 ' HE3' ' HB3' ' A' ' 62' ' ' ASP . 74.5 mtp -58.21 -43.61 87.74 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 123.624 0.578 . . . . 2.29 109.566 175.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -57.77 -51.59 68.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.19 -0.914 . . . . 1.92 109.872 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.9 m -55.92 -50.36 70.91 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.839 -1.073 . . . . 1.11 110.507 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.64 -43.19 99.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.533 -0.303 . . . . 1.07 111.189 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.471 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -59.17 -43.11 92.12 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.452 0.538 . . . . 1.11 112.452 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.2 ptt-85 -69.53 -24.66 63.76 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.863 -0.735 . . . . 3.14 111.053 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.4 HD23 ' CB ' ' A' ' 13' ' ' ALA . 90.4 mt -77.86 -34.77 51.55 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.069 -0.514 . . . . 1.18 109.744 176.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.608 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.7 mt-10 -57.78 -49.71 75.7 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.084 -0.71 . . . . 0.64 109.084 174.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -64.25 -27.51 69.1 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.251 -0.886 . . . . 1.78 112.195 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.637 HH21 ' HH ' ' A' ' 56' ' ' TYR . 50.8 ttp180 -89.72 -43.98 10.32 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.206 -0.598 . . . . 4.47 111.943 -175.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.637 ' HH ' HH21 ' A' ' 55' ' ' ARG . 93.8 m-85 -94.24 -21.17 19.21 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 113.553 0.946 . . . . 1.64 113.553 -174.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.98 65.6 1.59 Allowed Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.038 -1.077 . . . . 0.91 110.492 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 53' ' ' GLU . 14.8 p -139.64 168.7 17.75 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 107.84 -1.17 . . . . 1.79 107.84 -177.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -133.26 119.89 20.38 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 118.471 0.578 . . . . 2.04 109.722 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.528 HD11 HD11 ' A' ' 78' ' ' ILE . 66.7 mt -128.0 115.91 20.47 Favored Pre-proline 0 C--N 1.31 -1.121 0 N-CA-C 109.575 -0.528 . . . . 1.6 109.575 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HB2' HG21 ' A' ' 64' ' ' VAL . 31.9 Cg_exo -59.42 153.6 53.1 Favored 'Trans proline' 0 C--O 1.253 1.242 0 C-N-CA 122.795 2.33 . . . . 0.8 112.335 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.496 ' HB3' ' HE3' ' A' ' 46' ' ' MET . 12.0 m-20 -59.0 -47.89 83.56 Favored 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 124.009 0.923 . . . . 2.19 110.518 -176.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.29 -21.51 64.01 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 114.762 -1.108 . . . . 2.48 111.912 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.472 HG21 ' HB2' ' A' ' 61' ' ' PRO . 57.7 t -85.72 -57.87 3.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 109.486 -0.561 . . . . 1.31 109.486 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.71 -36.11 71.55 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.662 -0.699 . . . . 1.1 111.294 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.97 39.71 2.83 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 120.836 -0.697 . . . . 0.97 111.951 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -143.22 2.55 1.3 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.872 0.844 . . . . 4.05 109.776 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.419 HG21 HD13 ' A' ' 45' ' ' LEU . 27.3 m -91.93 121.07 42.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.75 -0.594 . . . . 1.09 109.908 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -95.76 -29.79 14.06 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.531 0.682 . . . . 1.88 110.211 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 56.3 p -111.09 141.12 23.61 Favored Pre-proline 0 N--CA 1.432 -1.335 0 CA-C-N 115.726 -0.67 . . . . 1.09 110.157 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.532 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -58.86 -24.17 70.96 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.476 2.784 . . . . 0.4 112.611 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.548 ' HA ' ' HG ' ' A' ' 31' ' ' LEU . 44.2 ttm180 -57.71 -44.35 85.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.718 -0.673 . . . . 2.67 109.559 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 39.0 mt-10 -64.48 -46.76 81.63 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.459 -0.791 . . . . 2.23 110.734 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.34 -44.25 95.71 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.202 -0.666 . . . . 1.81 109.202 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.718 ' HB2' HD23 ' A' ' 10' ' ' LEU . 55.9 tp -63.58 -46.42 85.95 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.605 -0.725 . . . . 1.25 109.85 178.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.55 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.768 -1.106 . . . . 0.89 111.926 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 84.7 mt -58.3 -51.94 67.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.664 0.268 . . . . 1.63 110.367 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.528 HD11 HD11 ' A' ' 60' ' ' ILE . 31.3 mm -63.61 -56.67 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 108.808 -0.812 . . . . 1.29 108.808 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.696 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.6 m120 -51.16 -54.39 25.8 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.244 -0.889 . . . . 1.45 111.693 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.08 -53.79 42.04 Favored Glycine 0 N--CA 1.436 -1.352 0 CA-C-N 115.711 -0.677 . . . . 0.5 113.121 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.87 81.3 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 112.061 0.393 . . . . 1.17 112.061 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.3 mt -76.05 -33.06 59.59 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 112.088 0.403 . . . . 1.26 112.088 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.866 0 CA-C-O 120.599 0.238 . . . . 1.54 111.639 -179.2 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.441 -0.918 0 CA-C-O 121.681 0.753 . . . . 2.28 109.168 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.7 HD23 ' HA ' ' A' ' 79' ' ' ASN . 83.8 mt -78.36 167.5 21.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.375 0.607 . . . . 1.62 112.158 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.422 HD21 ' HB3' ' A' ' 9' ' ' ASP . 76.1 mt -84.8 141.29 30.6 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-N 115.518 -0.764 . . . . 2.09 109.969 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.7 p -94.2 -170.47 2.3 Favored 'General case' 0 N--CA 1.415 -2.187 0 N-CA-C 107.056 -1.461 . . . . 1.41 107.056 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.494 HG23 HD22 ' A' ' 31' ' ' LEU . 43.3 m -68.76 -45.55 71.11 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 118.058 0.39 . . . . 1.31 110.226 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.555 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 34.8 t70 -68.66 -23.92 64.47 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 111.888 0.329 . . . . 2.29 111.888 -178.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.422 ' HB3' HD21 ' A' ' 5' ' ' LEU . 3.0 m-20 -59.52 -51.69 68.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.288 0.566 . . . . 1.83 110.358 175.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.461 HD22 ' HE1' ' A' ' 30' ' ' PHE . 4.4 tt -65.44 -41.36 93.55 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 107.612 -1.255 . . . . 1.37 107.612 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.534 ' HD3' ' OD1' ' A' ' 8' ' ' ASP . 54.5 ttt180 -53.55 -53.81 46.26 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.607 -0.724 . . . . 3.48 111.587 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 91.9 mtt180 -58.84 -44.36 90.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.924 0.392 . . . . 3.93 110.902 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.26 62.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.014 -0.539 . . . . 1.23 111.978 -176.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.6 tp -83.02 -24.88 32.65 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.04 0.448 . . . . 1.18 110.276 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 11' ' ' ARG . 98.7 t -72.77 -17.7 18.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 121.712 0.767 . . . . 1.34 110.336 176.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -71.77 -28.86 63.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.618 -0.719 . . . . 2.04 111.947 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.32 -0.706 0 CA-C-O 121.255 0.55 . . . . 1.74 111.612 178.075 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.461 ' HE1' HD22 ' A' ' 10' ' ' LEU . 52.7 p90 . . . . . 0 C--O 1.212 -0.873 0 N-CA-C 110.071 -0.344 . . . . 0.88 110.071 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.623 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 2.5 mm? -75.63 -27.69 58.51 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.657 -0.417 . . . . 1.85 111.849 -172.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -100.03 3.41 44.13 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 120.021 -0.672 . . . . 2.24 109.984 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -85.59 114.62 22.74 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 107.331 -1.359 . . . . 2.26 107.331 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -65.57 149.29 50.31 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.263 -0.426 . . . . 3.72 111.607 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 69.2 m-85 -67.04 -28.0 67.86 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.221 -0.445 . . . . 0.49 110.897 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.25 -37.64 64.88 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 124.422 1.089 . . . . 2.48 110.163 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.24 -39.49 68.43 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.817 -0.629 . . . . 2.01 110.081 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.402 HD13 ' HD1' ' A' ' 35' ' ' PHE . 29.2 pt -93.46 18.44 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.637 0.606 . . . . 1.26 112.637 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.6 40.17 96.03 Favored Glycine 0 C--O 1.225 -0.432 0 CA-C-N 115.42 -0.809 . . . . 0.55 113.909 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -101.93 169.45 8.76 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-N 117.192 0.496 . . . . 1.7 112.312 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.613 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.8 p-10 -139.77 171.99 13.43 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.645 -0.707 . . . . 1.89 109.578 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -65.51 -40.65 93.26 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 124.083 0.953 . . . . 0.88 111.771 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.01 -33.7 72.36 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 120.955 0.407 . . . . 2.3 110.639 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.79 -31.9 72.1 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.451 0.643 . . . . 1.17 110.18 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 69.3 mt -74.02 -42.53 60.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.75 -0.659 . . . . 1.11 109.639 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.794 ' HE1' ' HB3' ' A' ' 62' ' ' ASP . 73.4 mtp -58.17 -45.73 86.95 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.16 -0.927 . . . . 2.29 109.966 177.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -57.1 -50.07 73.94 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.83 -0.623 . . . . 1.92 109.619 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.5 m -56.34 -52.32 64.99 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 123.924 0.89 . . . . 1.11 111.35 178.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -59.36 -45.58 91.01 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.037 0.21 . . . . 1.07 111.113 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.561 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -62.17 -32.78 73.44 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.345 0.593 . . . . 1.11 111.656 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -70.09 -34.54 73.28 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 124.346 1.058 . . . . 3.14 110.694 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.51 -36.41 63.21 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.002 -0.545 . . . . 1.18 110.701 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.561 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 45.4 mt-10 -51.13 -56.78 10.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.466 0.706 . . . . 0.64 112.003 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -58.18 -29.11 65.38 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.19 0.811 . . . . 1.78 113.19 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -87.98 -35.9 17.36 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 120.462 -0.495 . . . . 4.47 111.91 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -102.82 -18.13 15.25 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 115.71 1.745 . . . . 1.64 115.71 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.99 60.91 1.98 Allowed Glycine 0 C--N 1.309 -0.968 0 C-N-CA 119.768 -1.206 . . . . 0.91 111.03 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.443 ' HB ' HD23 ' A' ' 82' ' ' LEU . 7.1 p -143.18 150.09 17.94 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.892 0 N-CA-C 106.792 -1.558 . . . . 1.79 106.792 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.536 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 50.3 m -129.98 115.55 17.31 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 118.131 0.423 . . . . 2.04 110.154 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 70.8 mt -120.6 127.54 26.23 Favored Pre-proline 0 C--N 1.306 -1.316 0 CA-C-N 116.165 -0.471 . . . . 1.6 109.914 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HB2' HG23 ' A' ' 64' ' ' VAL . 34.3 Cg_exo -59.6 140.95 96.23 Favored 'Trans proline' 0 C--O 1.245 0.861 0 C-N-CA 122.525 2.15 . . . . 0.8 111.322 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.794 ' HB3' ' HE1' ' A' ' 46' ' ' MET . 7.8 m-20 -55.3 -41.51 72.44 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.483 1.113 . . . . 2.19 111.857 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.5 -34.91 69.56 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.729 -0.669 . . . . 2.48 111.674 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 61' ' ' PRO . 49.1 t -67.23 -52.34 43.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 123.321 0.648 . . . . 1.31 110.281 -177.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.15 69.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.626 -0.715 . . . . 1.1 111.246 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.33 3.7 83.84 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.791 -0.719 . . . . 0.97 113.268 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -109.02 -3.41 17.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.81 0.671 . . . . 4.05 112.81 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.485 HG21 HD11 ' A' ' 45' ' ' LEU . 27.2 m -85.43 125.52 40.46 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 C-N-CA 119.769 -0.772 . . . . 1.09 111.752 -177.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -93.54 -27.54 16.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.58 0.705 . . . . 1.88 110.018 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.2 p -127.72 147.08 61.22 Favored Pre-proline 0 C--N 1.31 -1.142 0 CA-C-N 115.582 -0.736 . . . . 1.09 110.915 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.623 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 46.0 Cg_exo -59.39 -21.25 60.18 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 123.475 2.783 . . . . 0.4 112.479 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 31' ' ' LEU . 23.2 tpp180 -55.11 -43.05 73.72 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 123.938 0.895 . . . . 2.67 108.669 175.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.571 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 29.5 mt-10 -73.38 -45.08 56.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.879 -1.055 . . . . 2.23 109.921 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.06 -45.99 86.14 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.484 0.714 . . . . 1.81 109.4 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.37 -46.11 90.14 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 115.504 -0.771 . . . . 1.25 110.061 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.52 -38.03 88.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.145 -0.934 . . . . 0.89 111.891 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 91.0 mt -53.61 -47.64 70.04 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.173 0.511 . . . . 1.63 110.33 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.419 HG21 ' HG ' ' A' ' 5' ' ' LEU . 43.9 mm -67.48 -55.49 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.934 -1.03 . . . . 1.29 109.224 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.7 ' HA ' HD23 ' A' ' 4' ' ' LEU . 15.1 m120 -49.67 -55.32 14.18 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.678 0.791 . . . . 1.45 111.508 -178.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.91 -48.95 83.56 Favored Glycine 0 N--CA 1.437 -1.27 0 O-C-N 124.062 0.851 . . . . 0.5 112.741 -177.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.02 81.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.704 0.252 . . . . 1.17 111.658 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.443 HD23 ' HB ' ' A' ' 58' ' ' VAL . 70.8 mt -64.96 -45.92 83.69 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 112.196 0.443 . . . . 1.26 112.196 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.579 0 CA-C-O 120.785 0.326 . . . . 1.54 111.582 -178.245 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.439 -0.985 0 N-CA-C 107.59 -1.263 . . . . 2.28 107.59 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.52 ' HA ' ' CD1' ' A' ' 82' ' ' LEU 0.293 2.4 pp -64.8 137.57 57.86 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 114.519 1.303 . . . . 1.62 114.519 -177.456 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.57 153.36 43.59 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.438 -1.256 . . . . 2.09 112.092 -175.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.1 p -91.11 -177.88 5.02 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 116.454 -0.339 . . . . 1.41 111.303 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 m -67.27 -38.67 85.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.819 -1.178 . . . . 1.31 107.819 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.498 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 35.9 t70 -66.21 -40.9 90.68 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.851 -1.068 . . . . 2.29 110.928 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -61.84 -40.79 96.54 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.753 0.311 . . . . 1.83 110.183 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.611 HD23 ' HB2' ' A' ' 75' ' ' LEU . 59.1 tp -59.02 -46.11 89.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.124 -0.943 . . . . 1.37 109.135 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.416 ' O ' HG22 ' A' ' 15' ' ' VAL . 18.7 ttp180 -55.9 -51.85 66.17 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 123.806 0.691 . . . . 3.48 110.45 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 49.6 mtt180 -57.56 -52.27 66.1 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.001 0.429 . . . . 3.93 111.379 -177.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -28.23 69.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.767 -0.651 . . . . 1.23 112.048 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.438 ' HG ' ' CZ ' ' A' ' 40' ' ' TYR . 18.4 tp -82.97 -40.28 20.25 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.967 -0.56 . . . . 1.18 109.892 -178.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 11' ' ' ARG . 93.1 t -65.02 -35.62 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.486 -0.324 . . . . 1.34 110.365 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 41.6 mm-40 -59.86 -35.82 75.57 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.537 0.208 . . . . 2.04 110.92 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.452 -0.366 0 CA-C-N 116.114 -0.493 . . . . 1.74 110.039 178.473 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.656 ' HA ' HD11 ' A' ' 33' ' ' LEU . 21.7 p90 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 120.96 0.41 . . . . 0.88 110.623 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.678 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 7.1 mp -61.67 -35.59 78.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 115.913 1.82 . . . . 1.85 115.913 -171.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.51 6.42 45.88 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.505 0.928 . . . . 2.24 113.505 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.656 HD11 ' HA ' ' A' ' 30' ' ' PHE . 8.7 mp -78.17 106.28 9.96 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.984 -0.747 . . . . 2.26 108.984 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -56.7 134.6 54.9 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 111.974 0.361 . . . . 3.72 111.974 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' HA ' HG12 ' A' ' 38' ' ' ILE . 59.1 m-85 -60.78 -31.17 70.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.59 -0.732 . . . . 0.49 110.743 178.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.04 -51.72 68.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.454 -0.794 . . . . 2.48 110.046 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.39 -37.13 71.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.438 -0.801 . . . . 2.01 111.783 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.439 HG12 ' HA ' ' A' ' 35' ' ' PHE . 33.0 pt -83.88 16.43 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.846 0.684 . . . . 1.26 112.846 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.87 32.8 85.38 Favored Glycine 0 C--O 1.247 0.924 0 N-CA-C 114.907 0.723 . . . . 0.55 114.907 174.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CZ ' ' HG ' ' A' ' 14' ' ' LEU . 1.4 m-85 -93.36 139.68 30.4 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.376 0.608 . . . . 1.7 111.914 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -87.05 145.51 26.45 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 107.256 -1.387 . . . . 1.89 107.256 177.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 46' ' ' MET . 48.9 m -70.79 -28.6 64.78 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 120.347 -0.541 . . . . 0.88 110.108 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.27 -24.6 65.8 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.585 -0.446 . . . . 2.3 111.218 173.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.81 -34.79 62.43 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.711 -0.848 . . . . 1.17 108.711 175.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.454 ' O ' ' HB ' ' A' ' 48' ' ' THR . 65.9 mt -65.16 -40.94 95.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.71 -0.677 . . . . 1.11 109.266 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.53 ' HG3' ' O ' ' A' ' 42' ' ' SER . 61.8 mtt -59.81 -46.06 90.41 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 114.754 -1.112 . . . . 2.29 110.166 178.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.41 -38.09 88.3 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.05 0.452 . . . . 1.92 109.967 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 91.1 m -58.08 -59.5 5.19 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.297 -0.865 . . . . 1.11 110.053 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.24 83.06 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.391 -0.368 . . . . 1.07 111.168 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -57.89 -42.79 85.4 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.928 0.491 . . . . 1.11 112.257 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 48' ' ' THR . 5.6 ptp180 -72.71 -25.49 61.25 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.991 -0.684 . . . . 3.14 109.691 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.444 HD23 ' HE2' ' A' ' 56' ' ' TYR . 95.5 mt -76.67 -31.28 57.2 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.696 -0.684 . . . . 1.18 110.359 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.484 ' OE2' ' HA ' ' A' ' 50' ' ' ALA . 46.6 mt-10 -55.94 -56.67 17.92 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 123.655 0.597 . . . . 0.64 109.843 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -65.13 -36.05 83.05 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.243 -0.889 . . . . 1.78 111.459 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -71.46 -45.86 61.47 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.363 -0.535 . . . . 4.47 112.137 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.597 ' HB3' HD21 ' A' ' 82' ' ' LEU . 96.9 m-85 -97.13 -20.9 17.66 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 115.044 1.498 . . . . 1.64 115.044 -172.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.14 46.84 2.33 Favored Glycine 0 C--N 1.309 -0.922 0 C-N-CA 119.752 -1.213 . . . . 0.91 112.887 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.417 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 23.5 m -128.54 176.2 8.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 O-C-N 122.751 -0.264 . . . . 1.79 111.363 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 p -136.16 111.49 9.12 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 123.906 0.754 . . . . 2.04 109.202 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.6 HD12 ' HG ' ' A' ' 77' ' ' LEU . 69.1 mt -134.83 111.27 11.22 Favored Pre-proline 0 C--N 1.31 -1.139 0 N-CA-C 110.007 -0.368 . . . . 1.6 110.007 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 39.2 Cg_exo -62.62 156.23 53.91 Favored 'Trans proline' 0 C--O 1.25 1.106 0 C-N-CA 123.593 2.862 . . . . 0.8 114.124 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.82 -49.2 68.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.64 1.176 . . . . 2.19 112.16 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.626 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 22.9 t70 -56.06 -43.15 77.65 Favored 'General case' 0 C--O 1.21 -1.007 0 O-C-N 123.464 0.477 . . . . 2.48 111.351 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.83 -51.99 66.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 123.526 0.73 . . . . 1.31 110.199 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.28 -21.33 65.13 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.775 -0.648 . . . . 1.1 111.951 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.56 7.57 77.46 Favored Glycine 0 N--CA 1.44 -1.077 0 C-N-CA 120.985 -0.626 . . . . 0.97 112.357 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 17.3 mtm180 -111.04 7.36 21.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 117.221 0.51 . . . . 4.05 111.135 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -87.9 105.12 15.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-O 121.906 0.86 . . . . 1.09 111.098 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -53.5 -50.36 65.56 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 113.933 -1.485 . . . . 1.88 112.362 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.494 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 19.9 p -131.83 162.36 56.91 Favored Pre-proline 0 C--N 1.308 -1.22 0 CA-C-N 115.662 -0.699 . . . . 1.09 110.697 -177.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.486 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.4 Cg_exo -56.56 -28.18 73.0 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.456 2.771 . . . . 0.4 113.592 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.678 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 3.7 ptm180 -63.14 -33.55 75.7 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.442 -0.577 . . . . 2.67 109.442 178.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -72.89 -42.96 63.04 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 108.714 -0.847 . . . . 2.23 108.714 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.17 -40.91 97.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.686 -0.857 . . . . 1.81 108.686 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.611 ' HB2' HD23 ' A' ' 10' ' ' LEU . 60.7 tp -60.06 -53.53 56.72 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.64 -0.709 . . . . 1.25 109.767 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.05 -37.02 83.38 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.468 -0.787 . . . . 0.89 111.165 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.6 ' HG ' HD12 ' A' ' 60' ' ' ILE . 56.7 tp -54.63 -49.59 70.15 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.55 0.74 . . . . 1.63 110.54 177.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.57 HD11 HD13 ' A' ' 60' ' ' ILE . 46.7 mm -71.67 -44.82 68.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.8 -0.444 . . . . 1.29 109.8 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.402 HD21 ' HB2' ' A' ' 4' ' ' LEU . 12.5 m120 -52.49 -53.08 50.61 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 116.261 -0.427 . . . . 1.45 111.202 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.86 -39.08 97.02 Favored Glycine 0 N--CA 1.441 -0.976 0 CA-C-N 115.644 -0.707 . . . . 0.5 113.012 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.76 -37.11 85.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.334 0.588 . . . . 1.17 110.188 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 56' ' ' TYR . 76.4 mt -71.27 -46.18 61.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.738 -0.665 . . . . 1.26 110.919 176.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.672 0 CA-C-O 121.169 0.509 . . . . 1.54 111.135 177.669 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.423 -1.785 0 N-CA-C 108.898 -0.779 . . . . 2.28 108.898 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.855 HD22 ' HA ' ' A' ' 79' ' ' ASN . 65.2 mt -89.87 158.18 17.56 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.931 -0.577 . . . . 1.62 109.935 -174.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.522 ' HG ' HG23 ' A' ' 78' ' ' ILE . 96.0 mt -72.61 147.87 45.41 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 116.255 -0.43 . . . . 2.09 110.4 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -87.15 -178.45 6.24 Favored 'General case' 0 N--CA 1.418 -2.034 0 N-CA-C 107.951 -1.129 . . . . 1.41 107.951 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 m -72.35 -37.57 68.8 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 107.864 -1.161 . . . . 1.31 107.864 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -65.22 -45.68 83.7 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.178 -0.919 . . . . 2.29 112.652 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.21 -32.21 71.32 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.476 -0.89 . . . . 1.83 110.09 -177.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 75' ' ' LEU . 51.5 tp -69.41 -38.42 77.91 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.007 -0.738 . . . . 1.37 109.007 175.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' O ' HG23 ' A' ' 15' ' ' VAL . 22.8 ttp85 -57.93 -50.51 73.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.544 -0.753 . . . . 3.48 109.281 175.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -60.14 -45.66 92.28 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.056 -0.52 . . . . 3.93 110.555 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.597 ' HB3' HH21 ' A' ' 51' ' ' ARG . . . -51.58 -50.99 59.08 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 124.203 1.001 . . . . 1.23 111.804 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.2 tp -75.54 -27.25 58.6 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 114.683 -1.144 . . . . 1.18 111.986 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 11' ' ' ARG . 94.5 t -72.78 -45.38 56.81 Favored 'Isoleucine or valine' 0 C--O 1.248 0.997 0 N-CA-C 108.444 -0.946 . . . . 1.34 108.444 173.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -61.43 -23.77 66.07 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.468 -0.787 . . . . 2.04 112.02 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 m . . . . . 0 C--O 1.244 0.768 0 CA-C-O 120.673 0.273 . . . . 1.74 110.483 177.467 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.499 ' HA ' HD22 ' A' ' 33' ' ' LEU . 34.1 p90 . . . . . 0 N--CA 1.437 -1.102 0 N-CA-C 112.169 0.433 . . . . 0.88 112.169 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.811 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 1.8 mm? -78.66 -23.42 45.74 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.379 -0.528 . . . . 1.85 111.215 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -83.91 -26.75 29.11 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 120.869 0.366 . . . . 2.24 111.704 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 30' ' ' PHE . 3.5 mm? -69.74 144.5 52.73 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 109.091 -0.707 . . . . 2.26 109.091 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -90.34 158.06 17.32 Favored 'General case' 0 C--N 1.286 -2.157 0 N-CA-C 108.73 -0.841 . . . . 3.72 108.73 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.405 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 41.9 m-85 -66.61 -31.38 72.03 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 120.566 -0.453 . . . . 0.49 110.599 177.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.91 -30.36 70.93 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.825 -0.625 . . . . 2.48 110.522 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.94 -41.95 77.39 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.187 0.518 . . . . 2.01 109.776 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.2 pt -89.82 18.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 113.18 0.807 . . . . 1.26 113.18 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.47 27.32 73.54 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 116.176 -0.466 . . . . 0.55 113.877 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -101.08 121.63 42.15 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 122.467 -0.431 . . . . 1.7 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -90.05 161.64 15.73 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.922 -0.769 . . . . 1.89 108.922 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.9 m -54.19 -34.26 60.11 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 124.974 1.31 . . . . 0.88 113.015 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.19 -32.6 72.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.923 0.392 . . . . 2.3 111.385 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.12 -26.73 61.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.102 0.477 . . . . 1.17 110.32 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.28 -30.4 69.41 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.647 -0.706 . . . . 1.11 110.311 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.493 ' HA ' ' HB2' ' A' ' 65' ' ' ALA . 78.2 mtp -65.79 -34.57 78.46 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 114.996 -1.002 . . . . 2.29 109.675 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.69 -46.57 75.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.844 -0.798 . . . . 1.92 108.844 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.9 m -56.62 -53.26 59.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.299 -0.864 . . . . 1.11 110.114 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.7 99.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.044 -0.525 . . . . 1.07 112.004 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.7 -33.52 75.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.011 0.375 . . . . 1.11 112.011 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.597 HH21 ' HB3' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -67.62 -24.45 65.47 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.471 -0.936 . . . . 3.14 108.471 178.218 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.2 mt -83.72 -34.93 24.79 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.684 -0.689 . . . . 1.18 110.685 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -56.92 -53.7 55.03 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 116.384 -0.371 . . . . 0.64 110.291 177.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 p -64.77 -31.11 72.19 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.204 -0.907 . . . . 1.78 111.171 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HA ' ' HE ' ' A' ' 55' ' ' ARG . 1.5 tpm_? -69.36 -44.24 71.97 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.228 -0.896 . . . . 4.47 112.3 -176.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -110.25 -10.22 14.63 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.22 1.192 . . . . 1.64 114.22 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.3 52.53 4.49 Favored Glycine 0 C--N 1.297 -1.625 0 C-N-CA 119.74 -1.219 . . . . 0.91 110.539 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 p -127.69 173.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 N-CA-C 107.427 -1.323 . . . . 1.79 107.427 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.9 m -133.81 128.23 34.32 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 118.678 0.672 . . . . 2.04 110.795 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.2 mt -127.57 108.21 20.84 Favored Pre-proline 0 C--N 1.306 -1.309 0 N-CA-C 108.62 -0.882 . . . . 1.6 108.62 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.47 ' HD2' HG22 ' A' ' 64' ' ' VAL . 43.8 Cg_exo -58.85 157.53 28.18 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.978 2.452 . . . . 0.8 113.114 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.93 -54.21 38.13 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.972 1.309 . . . . 2.19 112.391 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 17.3 t70 -60.88 -40.05 91.54 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.899 -0.591 . . . . 2.48 111.131 -176.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.47 HG22 ' HD2' ' A' ' 61' ' ' PRO . 60.4 t -60.02 -56.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 124.881 1.272 . . . . 1.31 110.73 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.493 ' HB2' ' HA ' ' A' ' 46' ' ' MET . . . -56.34 -37.41 69.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.677 -0.692 . . . . 1.1 111.795 -177.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.53 23.43 36.21 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.334 -0.936 . . . . 0.97 112.242 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 13.0 tpt180 -100.55 -25.07 14.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.341 0.591 . . . . 4.05 109.695 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 73' ' ' GLU . 36.0 m -73.31 130.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.214 -0.903 . . . . 1.09 112.049 -174.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -88.88 -43.86 10.89 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.513 0.673 . . . . 1.88 110.839 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.7 p -115.96 154.23 48.34 Favored Pre-proline 0 C--N 1.303 -1.448 0 CA-C-N 115.698 -0.683 . . . . 1.09 110.066 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.405 ' HG3' ' CE1' ' A' ' 35' ' ' PHE . 51.2 Cg_exo -58.5 -21.87 56.51 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.628 2.885 . . . . 0.4 113.883 -178.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.811 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 13.6 ptp180 -67.0 -32.68 74.07 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-O 121.074 0.464 . . . . 2.67 110.098 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 31.1 mt-10 -72.57 -37.41 68.21 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.756 -0.656 . . . . 2.23 109.385 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.98 -39.69 87.25 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 107.778 -1.193 . . . . 1.81 107.778 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.523 ' HB2' HD23 ' A' ' 10' ' ' LEU . 56.8 tp -63.19 -43.57 97.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.539 -0.755 . . . . 1.25 109.649 176.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.31 -27.33 68.53 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.769 -0.65 . . . . 0.89 111.555 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 82.5 mt -60.73 -46.36 90.71 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.779 -0.823 . . . . 1.63 108.779 175.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.522 HG23 ' HG ' ' A' ' 5' ' ' LEU . 44.4 mm -66.45 -55.63 17.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.738 -1.119 . . . . 1.29 109.33 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.855 ' HA ' HD22 ' A' ' 4' ' ' LEU . 15.3 m120 -51.33 -53.61 34.42 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.903 0.752 . . . . 1.45 110.523 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.21 -49.64 75.76 Favored Glycine 0 N--CA 1.428 -1.878 0 CA-C-N 115.088 -0.96 . . . . 0.5 112.919 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.8 89.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 117.441 0.62 . . . . 1.17 111.459 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.12 -41.99 76.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.437 0.532 . . . . 1.26 112.437 -177.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.992 0 N-CA-C 112.203 0.446 . . . . 1.54 112.203 -177.008 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.1 m . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 121.155 0.502 . . . . 2.28 110.657 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.68 HD21 ' HA ' ' A' ' 79' ' ' ASN . 55.0 mt -66.82 121.9 16.5 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.862 -0.608 . . . . 1.62 109.735 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.41 148.28 43.46 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.041 -0.527 . . . . 2.09 110.435 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 p -91.89 -173.55 3.53 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 112.724 0.638 . . . . 1.41 112.724 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.412 ' CG2' HD23 ' A' ' 31' ' ' LEU . 30.1 m -66.07 -39.27 89.92 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 123.581 0.753 . . . . 1.31 110.047 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 3.7 m-20 -62.58 -39.74 94.68 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.948 -0.569 . . . . 2.29 112.154 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.38 -42.53 68.31 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 119.809 -0.756 . . . . 1.83 110.025 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.69 HD23 ' HB2' ' A' ' 75' ' ' LEU . 50.3 tp -54.67 -45.85 73.95 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 123.945 0.778 . . . . 1.37 109.598 176.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.468 ' O ' HG22 ' A' ' 15' ' ' VAL . 40.6 ttm180 -52.51 -51.4 59.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.274 -0.875 . . . . 3.48 110.789 177.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.47 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 76.2 mtm180 -63.37 -45.58 90.46 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.035 0.445 . . . . 3.93 111.061 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.73 64.96 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 1.23 111.811 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.3 tp -78.78 -41.26 30.97 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.808 -0.441 . . . . 1.18 109.808 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 11' ' ' ARG . 90.1 t -57.92 -34.14 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.576 0.351 . . . . 1.34 110.854 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 13.0 mm-40 -60.17 -34.61 73.82 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.048 -0.524 . . . . 2.04 110.832 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.645 0.736 . . . . 1.74 110.697 -178.554 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.2 p90 . . . . . 0 C--O 1.206 -1.196 0 CA-C-O 120.601 0.238 . . . . 0.88 110.672 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' A' ' 70' ' ' THR . 2.9 mm? -72.38 -27.77 62.59 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.407 -0.36 . . . . 1.85 111.748 -174.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -96.49 -12.29 24.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.628 0.728 . . . . 2.24 110.669 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.92 137.9 38.59 Favored 'General case' 0 CA--C 1.488 -1.434 0 CA-C-N 115.424 -0.807 . . . . 2.26 110.319 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -83.1 156.82 23.09 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-N 116.069 -0.514 . . . . 3.72 109.991 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.47 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 75.2 m-85 -69.11 -19.7 64.05 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 115.922 -0.581 . . . . 0.49 112.19 -175.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.75 -32.6 74.36 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 123.535 0.522 . . . . 2.48 110.635 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -72.34 -45.83 58.16 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.291 0.567 . . . . 2.01 110.813 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.9 pt -85.87 12.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 CA-C-N 115.508 -0.769 . . . . 1.26 112.84 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.57 41.17 72.73 Favored Glycine 0 N--CA 1.463 0.494 0 CA-C-N 115.556 -0.747 . . . . 0.55 113.546 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -95.72 135.33 37.56 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 112.82 0.674 . . . . 1.7 112.82 -177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.418 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.8 m-20 -85.32 148.93 25.79 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.549 -1.205 . . . . 1.89 108.416 174.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -61.53 -34.1 74.95 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.574 0.702 . . . . 0.88 109.107 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.15 -36.15 83.11 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.066 -0.97 . . . . 2.3 110.671 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.02 80.74 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.878 -0.601 . . . . 1.17 109.426 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 64.4 mt -63.41 -38.71 92.2 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.692 0.758 . . . . 1.11 109.51 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.509 ' HE1' ' HB2' ' A' ' 62' ' ' ASP . 54.0 mtp -63.13 -37.53 87.57 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.669 -1.15 . . . . 2.29 110.916 176.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.89 -38.86 79.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.791 -0.448 . . . . 1.92 109.791 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.47 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 29.9 m -52.95 -58.07 8.2 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.651 -0.704 . . . . 1.11 109.151 174.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.93 -37.4 86.88 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.801 -0.636 . . . . 1.07 111.225 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.481 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -59.51 -43.43 93.38 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.36 0.504 . . . . 1.11 112.36 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.3 ptp180 -70.05 -24.35 63.24 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.536 0.684 . . . . 3.14 109.98 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 48' ' ' THR . 83.9 mt -81.41 -32.94 32.49 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.697 -0.683 . . . . 1.18 109.551 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.481 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 47.0 mt-10 -55.73 -53.83 51.76 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.811 -0.631 . . . . 0.64 109.467 174.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.7 p -71.19 -24.63 62.26 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.176 -0.92 . . . . 1.78 112.66 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -79.99 -26.09 40.06 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.95 -0.3 . . . . 4.47 111.088 -177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -117.37 -10.66 10.68 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.289 1.218 . . . . 1.64 114.289 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.31 45.62 9.79 Favored Glycine 0 C--N 1.303 -1.264 0 C-N-CA 119.684 -1.246 . . . . 0.91 110.292 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 p -128.65 174.13 12.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 106.194 -1.78 . . . . 1.79 106.194 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 t -143.23 146.21 33.45 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-N 119.197 0.908 . . . . 2.04 110.027 177.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.34 114.94 10.68 Favored Pre-proline 0 C--N 1.307 -1.253 0 C-N-CA 123.951 0.9 . . . . 1.6 108.674 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.412 ' HB2' HG23 ' A' ' 64' ' ' VAL . 50.7 Cg_exo -56.39 147.04 70.32 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.914 2.409 . . . . 0.8 111.675 175.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.509 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 4.0 p-10 -60.46 -29.68 69.19 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.784 0.434 . . . . 2.19 112.109 -177.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.46 -15.1 62.78 Favored 'General case' 0 C--O 1.201 -1.498 0 N-CA-C 111.918 0.34 . . . . 2.48 111.918 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' A' ' 61' ' ' PRO . 56.6 t -85.75 -56.5 5.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 109.238 -0.653 . . . . 1.31 109.238 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.55 74.41 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.38 -0.827 . . . . 1.1 111.962 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.25 39.65 2.78 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.548 -0.834 . . . . 0.97 111.071 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -145.53 17.13 1.49 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 122.361 1.077 . . . . 4.05 109.175 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.469 HG21 HD21 ' A' ' 74' ' ' LEU . 31.5 m -102.54 117.43 47.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 CA-C-N 115.353 -0.839 . . . . 1.09 109.74 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -67.44 -47.97 68.63 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 115.566 -0.743 . . . . 1.88 110.364 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 24.3 p -127.25 157.1 73.53 Favored Pre-proline 0 N--CA 1.427 -1.587 0 CA-C-N 115.592 -0.731 . . . . 1.09 110.502 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.47 ' HG3' ' CE1' ' A' ' 35' ' ' PHE . 31.9 Cg_exo -61.34 -16.9 49.97 Favored 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 123.47 2.78 . . . . 0.4 112.721 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.9 -40.04 83.3 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 109.333 -0.618 . . . . 2.67 109.333 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.622 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.9 mp0 -74.09 -38.6 63.84 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.944 -0.571 . . . . 2.23 110.646 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD22 HD12 ' A' ' 77' ' ' LEU . 1.8 tm? -62.28 -40.56 96.67 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 108.695 -0.854 . . . . 1.81 108.695 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.69 ' HB2' HD23 ' A' ' 10' ' ' LEU . 63.2 tp -65.05 -44.51 88.78 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 115.682 -0.69 . . . . 1.25 109.325 175.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.33 -36.32 81.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.831 -1.077 . . . . 0.89 112.165 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 90.6 mt -54.51 -50.45 67.78 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.402 0.62 . . . . 1.63 109.686 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.92 -52.59 47.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.915 -1.039 . . . . 1.29 110.584 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.68 ' HA ' HD21 ' A' ' 4' ' ' LEU . 12.6 m120 -60.47 -29.92 69.36 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.497 -0.32 . . . . 1.45 111.826 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.21 -54.44 4.75 Favored Glycine 0 N--CA 1.43 -1.709 0 C-N-CA 120.823 -0.703 . . . . 0.5 111.404 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.12 87.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.437 0.532 . . . . 1.17 112.437 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.5 mt -73.09 -16.82 61.46 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.774 0.657 . . . . 1.26 112.774 -176.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.248 0 CA-C-O 121.043 0.449 . . . . 1.54 111.343 -179.266 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.6 m . . . . . 0 N--CA 1.435 -1.183 0 N-CA-C 108.969 -0.752 . . . . 2.28 108.969 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.9 mt -89.84 133.6 34.64 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.739 -0.837 . . . . 1.62 108.739 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.505 ' HG ' HG21 ' A' ' 78' ' ' ILE . 1.1 pp -75.42 147.29 40.07 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 120.136 -0.626 . . . . 2.09 111.75 176.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.1 p -97.82 -170.81 2.05 Favored 'General case' 0 C--N 1.293 -1.866 0 CA-C-N 115.168 -0.924 . . . . 1.41 110.521 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -64.29 -49.31 72.32 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 107.814 -1.18 . . . . 1.31 107.814 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.0 -38.85 92.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.83 -1.077 . . . . 2.29 111.73 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -62.67 -48.11 80.73 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 110.26 -0.274 . . . . 1.83 110.26 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 tp -56.72 -49.46 75.09 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 124.041 0.838 . . . . 1.37 109.816 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.5 ttp85 -51.74 -54.59 26.74 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.821 0.7 . . . . 3.48 111.522 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -62.44 -35.27 78.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.81 0.67 . . . . 3.93 112.81 -177.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.11 -45.23 58.19 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.391 0.615 . . . . 1.23 110.503 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.1 tp -63.31 -41.45 98.94 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 124.509 1.124 . . . . 1.18 112.228 -175.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.39 -17.46 16.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 122.259 1.028 . . . . 1.34 110.114 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -35.26 31.13 Favored 'General case' 0 N--CA 1.422 -1.837 0 N-CA-C 107.593 -1.262 . . . . 2.04 107.593 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.417 ' OG ' ' HD3' ' A' ' 51' ' ' ARG . 9.3 m . . . . . 0 C--O 1.242 0.695 0 CA-C-O 121.419 0.628 . . . . 1.74 110.048 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.474 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 49.4 p90 . . . . . 0 C--O 1.206 -1.197 0 CA-C-O 120.773 0.32 . . . . 0.88 110.174 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.663 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 2.6 mm? -68.35 -27.84 66.61 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.092 -0.504 . . . . 1.85 111.541 -173.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -97.25 -4.31 39.09 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.189 -0.46 . . . . 2.24 110.909 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.5 tp -81.52 106.08 13.19 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.588 -0.893 . . . . 2.26 108.588 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.402 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 64.7 mtp180 -60.85 141.76 56.81 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.337 -0.847 . . . . 3.72 111.293 -176.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.443 ' HB3' ' HB2' ' A' ' 40' ' ' TYR . 56.0 m-85 -64.5 -31.27 72.41 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.087 -0.96 . . . . 0.49 111.427 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -54.93 -44.62 74.41 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.361 0.665 . . . . 2.48 110.354 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.402 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 36.2 m-20 -69.47 -26.55 64.63 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.26 -0.427 . . . . 2.01 111.894 -176.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.8 pt -106.49 19.62 5.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 113.431 0.9 . . . . 1.26 113.431 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.43 42.34 99.08 Favored Glycine 0 C--N 1.319 -0.407 0 CA-C-N 115.746 -0.661 . . . . 0.55 114.273 176.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.443 ' HB2' ' HB3' ' A' ' 35' ' ' PHE . 6.7 m-85 -106.67 109.43 21.33 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 122.398 -0.472 . . . . 1.7 110.829 177.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -79.47 164.67 23.76 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.853 -1.165 . . . . 1.89 107.853 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.557 ' HB3' ' HE3' ' A' ' 46' ' ' MET . 59.4 m -52.26 -35.33 49.63 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.357 0.411 . . . . 0.88 111.059 175.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.11 -40.91 71.01 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.544 0.738 . . . . 2.3 111.369 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.91 -32.43 57.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.498 0.666 . . . . 1.17 110.737 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 mt -75.47 -42.91 51.92 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.869 -0.605 . . . . 1.11 110.434 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.557 ' HE3' ' HB3' ' A' ' 42' ' ' SER . 65.3 mtt -64.27 -36.75 85.12 Favored 'General case' 0 CA--C 1.5 -0.962 0 CA-C-N 115.71 -0.677 . . . . 2.29 109.782 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 8.0 tp10 -58.66 -50.56 73.41 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.89 -0.781 . . . . 1.92 108.89 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.541 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 91.7 m -55.64 -51.2 68.01 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 114.5 -1.227 . . . . 1.11 110.54 177.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -59.57 -46.03 90.12 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 121.087 -0.245 . . . . 1.07 110.908 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.452 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -57.58 -48.66 78.75 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.469 0.708 . . . . 1.11 112.702 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 11.2 ptm180 -64.45 -30.99 72.02 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.198 0.523 . . . . 3.14 111.273 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 48' ' ' THR . 95.3 mt -75.97 -35.78 59.51 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.356 -0.383 . . . . 1.18 110.412 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 47.5 mt-10 -55.27 -48.54 73.88 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.577 0.548 . . . . 0.64 109.675 176.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.1 m -61.68 -34.36 75.61 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.93 -1.032 . . . . 1.78 113.336 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.462 ' HD2' ' CE2' ' A' ' 56' ' ' TYR . 36.5 ttm180 -87.03 -42.73 12.86 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.954 0.407 . . . . 4.47 111.885 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.489 ' CE2' HD23 ' A' ' 5' ' ' LEU . 99.3 m-85 -96.14 -18.43 20.13 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 114.452 1.279 . . . . 1.64 114.452 -170.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.81 62.31 2.15 Favored Glycine 0 C--N 1.309 -0.968 0 C-N-CA 119.716 -1.231 . . . . 0.91 110.722 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.487 ' CG1' ' HA ' ' A' ' 53' ' ' GLU . 7.1 p -136.87 151.93 28.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 108.017 -1.105 . . . . 1.79 108.017 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.2 m -116.25 116.81 28.45 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.472 -0.566 . . . . 2.04 109.472 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.479 HD12 HD11 ' A' ' 78' ' ' ILE . 63.2 mt -122.43 109.35 32.97 Favored Pre-proline 0 C--N 1.311 -1.1 0 CA-C-O 120.803 0.335 . . . . 1.6 110.33 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.96 157.37 53.2 Favored 'Trans proline' 0 C--O 1.255 1.345 0 C-N-CA 123.301 2.667 . . . . 0.8 113.6 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.451 ' O ' ' HE1' ' A' ' 46' ' ' MET . 14.3 t70 -49.86 -59.01 4.25 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.148 1.779 . . . . 2.19 112.995 -178.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -53.68 -42.65 68.16 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.005 0.522 . . . . 2.48 111.315 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.44 -59.49 4.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 114.424 -1.262 . . . . 1.31 110.995 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.29 -16.16 61.6 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.772 0.656 . . . . 1.1 112.772 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.23 4.46 44.59 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.229 -0.986 . . . . 0.97 111.757 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -104.42 -13.81 15.95 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.284 0.564 . . . . 4.05 110.044 -177.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.514 HG12 HD11 ' A' ' 77' ' ' LEU . 31.1 m -72.97 105.41 2.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-O 121.82 0.819 . . . . 1.09 111.786 -177.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.18 -40.91 67.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.506 -0.77 . . . . 1.88 112.383 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 25.5 p -122.56 158.04 57.54 Favored Pre-proline 0 C--N 1.303 -1.424 0 CA-C-N 116.267 -0.424 . . . . 1.09 110.986 -177.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.663 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.8 Cg_exo -57.87 -18.68 35.83 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 123.167 2.578 . . . . 0.4 112.138 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 31' ' ' LEU . 37.4 mmt180 -50.68 -53.96 26.92 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 108.603 -0.888 . . . . 2.67 108.603 172.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 6.1 mm-40 -66.35 -49.27 67.49 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 113.563 -1.653 . . . . 2.23 110.735 -175.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.44 -42.72 96.7 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.917 -0.583 . . . . 1.81 109.99 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.2 tp -65.95 -44.2 85.69 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 108.927 -0.768 . . . . 1.25 108.927 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -59.06 -41.15 87.23 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 114.502 -1.226 . . . . 0.89 111.295 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 77.5 mt -52.61 -55.06 25.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.437 0.695 . . . . 1.63 110.576 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.505 HG21 ' HG ' ' A' ' 5' ' ' LEU . 36.6 mm -65.07 -60.56 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-N 114.588 -1.187 . . . . 1.29 110.137 -177.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -50.14 -52.99 30.64 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.712 0.633 . . . . 1.45 112.443 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.27 99.35 Favored Glycine 0 C--O 1.239 0.461 0 O-C-N 123.49 0.494 . . . . 0.5 113.565 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.42 -34.62 67.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.811 0.339 . . . . 1.17 111.296 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 56' ' ' TYR . 79.2 mt -73.36 -21.97 60.4 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.723 0.297 . . . . 1.26 111.328 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 CA-C-O 120.807 0.337 . . . . 1.54 110.976 178.557 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.433 -1.277 0 CA-C-O 122.455 1.122 . . . . 2.28 109.047 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 79' ' ' ASN . 89.1 mt -101.2 132.6 46.62 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.992 -1.004 . . . . 1.62 108.873 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -75.37 139.79 42.6 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.149 -0.478 . . . . 2.09 110.367 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.9 p -101.89 -169.33 1.66 Allowed 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.591 -0.731 . . . . 1.41 109.213 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.563 HG21 HD22 ' A' ' 31' ' ' LEU . 28.0 m -55.24 -54.45 43.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.029 0.532 . . . . 1.31 111.213 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.485 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 24.3 t70 -63.32 -38.13 89.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.984 0.365 . . . . 2.29 111.984 -177.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -60.64 -47.07 87.87 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 108.906 -0.775 . . . . 1.83 108.906 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.4 HD23 ' HB2' ' A' ' 75' ' ' LEU . 62.1 tp -63.15 -42.1 99.39 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.163 -0.926 . . . . 1.37 110.223 178.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.2 ttp85 -53.4 -52.92 57.77 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 123.51 0.506 . . . . 3.48 110.676 178.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 68.3 mtt180 -57.23 -48.87 77.74 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 123.685 0.616 . . . . 3.93 110.641 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.65 -31.17 70.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.833 -0.622 . . . . 1.23 112.466 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -81.94 -34.19 29.95 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.447 -0.342 . . . . 1.18 111.367 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' ARG . 50.5 t -75.34 -23.73 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.825 -0.806 . . . . 1.34 108.825 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.97 -36.7 77.68 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.142 -0.935 . . . . 2.04 110.027 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.424 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 13.8 m . . . . . 0 CA--C 1.548 0.893 0 CA-C-O 120.871 0.367 . . . . 1.74 111.328 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' HA ' HD23 ' A' ' 33' ' ' LEU . 43.4 p90 . . . . . 0 N--CA 1.439 -1.009 0 N-CA-C 109.697 -0.483 . . . . 0.88 109.697 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.629 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.0 mm? -78.92 -23.59 44.62 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.216 -0.447 . . . . 1.85 112.176 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -93.79 3.65 55.11 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.686 0.625 . . . . 2.24 112.686 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 30' ' ' PHE . 3.2 mm? -99.8 149.84 22.95 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 109.512 -0.551 . . . . 2.26 109.512 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -89.02 146.45 24.85 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.443 0.639 . . . . 3.72 112.326 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.636 ' HA ' HG12 ' A' ' 38' ' ' ILE . 62.6 m-85 -64.1 -32.17 73.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.127 -0.942 . . . . 0.49 112.633 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -23.55 63.95 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 112.525 0.565 . . . . 2.48 112.525 -178.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -87.78 -25.91 23.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.127 0.489 . . . . 2.01 110.619 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.636 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -90.09 18.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 112.453 0.538 . . . . 1.26 112.453 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.23 32.41 65.47 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.55 113.964 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.424 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 1.4 m-85 -110.76 138.55 47.02 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 113.491 0.922 . . . . 1.7 113.491 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.515 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 32.0 m-20 -94.5 166.19 12.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 115.29 -0.868 . . . . 1.89 109.66 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -66.55 -41.54 88.5 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.99 0.9 . . . . 0.88 108.685 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.52 -31.31 72.31 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.337 -1.301 . . . . 2.3 110.08 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.2 -23.83 54.65 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.619 -0.719 . . . . 1.17 110.333 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 40.2 mt -74.78 -39.36 61.8 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 108.851 -0.796 . . . . 1.11 108.851 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.451 ' HE3' ' O ' ' A' ' 62' ' ' ASP . 49.6 mtt -63.2 -42.34 99.29 Favored 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 114.842 -1.072 . . . . 2.29 108.324 176.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -58.64 -44.46 90.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.595 0.758 . . . . 1.92 110.301 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.469 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 96.0 m -61.74 -52.46 64.17 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.406 -0.815 . . . . 1.11 109.984 177.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.46 -36.32 77.97 Favored 'General case' 0 C--O 1.203 -1.344 0 CA-C-N 116.163 -0.471 . . . . 1.07 110.984 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.16 76.06 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.642 0.777 . . . . 1.11 112.679 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.5 ptp180 -70.19 -33.62 71.95 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 119.686 -0.806 . . . . 3.14 109.255 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.3 -40.52 74.21 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.395 -0.821 . . . . 1.18 109.961 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.566 ' HA ' HG13 ' A' ' 58' ' ' VAL . 44.2 mt-10 -59.29 -46.66 87.95 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 123.119 0.568 . . . . 0.64 109.981 176.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 m -63.14 -48.53 78.08 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.015 0.822 . . . . 1.78 110.966 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -68.36 -53.74 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.502 0.556 . . . . 4.47 112.502 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -83.7 -15.78 47.45 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.492 0.923 . . . . 1.64 113.492 -172.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.19 63.31 2.18 Favored Glycine 0 C--O 1.243 0.712 0 C-N-CA 120.654 -0.784 . . . . 0.91 111.305 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.566 HG13 ' HA ' ' A' ' 53' ' ' GLU . 14.3 p -141.67 169.04 14.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 108.98 -0.748 . . . . 1.79 108.98 -177.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -134.62 121.83 21.44 Favored 'General case' 0 C--O 1.248 0.994 0 N-CA-C 109.095 -0.706 . . . . 2.04 109.095 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.528 HD13 HD13 ' A' ' 78' ' ' ILE . 64.2 mt -125.32 124.49 25.18 Favored Pre-proline 0 C--N 1.316 -0.881 0 N-CA-C 109.82 -0.437 . . . . 1.6 109.82 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.444 ' HB2' HG23 ' A' ' 64' ' ' VAL . 45.7 Cg_exo -59.33 142.73 99.5 Favored 'Trans proline' 0 C--O 1.253 1.233 0 C-N-CA 122.891 2.394 . . . . 0.8 111.43 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.451 ' O ' ' HE3' ' A' ' 46' ' ' MET . 22.3 m-20 -57.94 -46.66 84.71 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 115.663 -0.699 . . . . 2.19 111.467 -175.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -53.93 -43.13 69.51 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.511 0.507 . . . . 2.48 111.334 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' A' ' 61' ' ' PRO . 58.1 t -62.19 -55.98 20.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 114.97 -1.014 . . . . 1.31 109.799 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.404 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -59.34 -31.26 69.02 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 115.856 -0.611 . . . . 1.1 111.793 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.91 -1.68 88.77 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.519 -0.848 . . . . 0.97 113.054 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -118.2 14.83 14.0 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.993 0.738 . . . . 4.05 112.993 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.454 HG23 ' HB2' ' A' ' 74' ' ' LEU . 17.4 m -89.05 105.51 15.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 108.685 -0.857 . . . . 1.09 108.685 174.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.78 -51.22 70.47 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.262 -0.881 . . . . 1.88 111.123 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -114.51 152.44 46.16 Favored Pre-proline 0 C--N 1.312 -1.044 0 CA-C-N 115.469 -0.787 . . . . 1.09 110.931 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 42.1 Cg_exo -60.14 -23.68 74.46 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 123.641 2.894 . . . . 0.4 113.311 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.629 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.8 ttm180 -62.27 -37.43 85.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.199 0.523 . . . . 2.67 110.434 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 35.7 mt-10 -69.19 -39.55 78.61 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.284 -0.871 . . . . 2.23 110.019 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.478 HD21 HD12 ' A' ' 77' ' ' LEU . 3.0 tm? -68.19 -38.94 82.53 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.829 -0.804 . . . . 1.81 108.829 178.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.4 ' HB2' HD23 ' A' ' 10' ' ' LEU . 53.4 tp -57.94 -50.51 73.11 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 123.788 0.835 . . . . 1.25 109.387 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -59.52 -35.11 73.54 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 115.166 -0.924 . . . . 0.89 113.014 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 86.8 mt -57.34 -43.6 83.58 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.404 0.44 . . . . 1.63 110.741 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.528 HD13 HD13 ' A' ' 60' ' ' ILE . 36.0 mm -72.71 -57.13 7.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.49 -0.93 . . . . 1.29 108.49 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.455 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.0 m120 -47.5 -54.57 11.19 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.777 0.831 . . . . 1.45 112.355 -178.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.99 -47.12 86.14 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.932 -0.576 . . . . 0.5 113.441 -176.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.54 73.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.962 0.381 . . . . 1.17 111.803 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.13 -43.98 63.87 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 121.01 -0.276 . . . . 1.26 110.48 177.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.999 -0.546 . . . . 1.54 111.26 -179.431 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.459 HG22 ' HD1' ' A' ' 56' ' ' TYR . 6.0 t . . . . . 0 N--CA 1.42 -1.926 0 N-CA-C 107.233 -1.395 . . . . 2.28 107.233 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 79' ' ' ASN . 69.3 mt -74.44 129.79 38.42 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.169 -0.923 . . . . 1.62 110.64 -176.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.482 HD21 ' CE2' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -71.05 147.41 48.56 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.835 -0.621 . . . . 2.09 111.301 176.132 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -102.89 -170.2 1.76 Allowed 'General case' 0 N--CA 1.411 -2.394 0 CA-C-N 115.182 -0.917 . . . . 1.41 110.843 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.61 HG21 HD21 ' A' ' 31' ' ' LEU . 26.9 m -65.46 -48.33 73.05 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 123.943 0.897 . . . . 1.31 109.356 -177.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.76 -30.89 71.79 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.003 -0.544 . . . . 2.29 111.152 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -66.81 -50.09 63.73 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 116.502 -0.317 . . . . 1.83 110.468 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 75' ' ' LEU . 48.1 tp -64.49 -36.17 83.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.01 -0.541 . . . . 1.37 110.144 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 15' ' ' VAL . 59.0 ttt180 -55.79 -57.2 13.01 Favored 'General case' 0 CA--C 1.517 -0.289 0 O-C-N 123.678 0.611 . . . . 3.48 109.542 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -60.15 -41.73 93.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.512 -0.767 . . . . 3.93 111.673 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.55 -28.79 68.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.264 -0.426 . . . . 1.23 112.145 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.5 tp -85.6 -23.65 27.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.521 0.677 . . . . 1.18 110.474 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 11' ' ' ARG . 57.9 t -77.51 -28.18 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.354 -0.98 . . . . 1.34 108.354 173.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.68 -39.24 90.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.753 -1.112 . . . . 2.04 109.759 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.525 ' HB3' HH22 ' A' ' 51' ' ' ARG . 1.8 p . . . . . 0 C--N 1.316 -0.878 0 CA-C-O 121.271 0.557 . . . . 1.74 111.812 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.451 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 40.8 p90 . . . . . 0 C--O 1.207 -1.142 0 N-CA-C 111.535 0.198 . . . . 0.88 111.535 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.61 HD21 HG21 ' A' ' 7' ' ' THR . 2.4 mm? -78.2 -26.67 47.63 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.155 -0.683 . . . . 1.85 109.155 -177.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.87 -30.93 45.32 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.182 -1.372 . . . . 2.24 110.124 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.5 mt -71.69 123.73 23.2 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 108.023 -1.103 . . . . 2.26 108.023 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -78.15 158.06 29.21 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 109.36 -0.607 . . . . 3.72 109.36 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -66.97 -21.04 65.98 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.15 0.5 . . . . 0.49 110.585 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.51 -26.06 64.35 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.201 -0.909 . . . . 2.48 109.417 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -79.6 -38.7 33.34 Favored 'General case' 0 CA--C 1.505 -0.782 0 O-C-N 121.921 -0.487 . . . . 2.01 110.265 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.6 pt -98.21 11.92 5.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 113.373 0.879 . . . . 1.26 113.373 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.08 45.18 96.61 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 115.844 -0.616 . . . . 0.55 114.163 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -106.47 125.61 51.22 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 113.066 0.765 . . . . 1.7 113.066 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.533 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 35.4 t70 -90.86 165.45 13.6 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.777 -1.102 . . . . 1.89 110.9 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -58.46 -46.26 86.94 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 125.118 1.367 . . . . 0.88 110.724 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.405 ' HA ' ' SD ' ' A' ' 46' ' ' MET . 7.9 mp -67.69 -27.41 66.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.044 0.449 . . . . 2.3 111.394 -177.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.85 -37.2 62.29 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.844 -0.616 . . . . 1.17 109.503 177.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 83.9 mt -65.44 -39.18 91.76 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.677 -0.692 . . . . 1.11 110.321 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.913 ' HE2' ' HB3' ' A' ' 62' ' ' ASP . 71.3 mtp -59.09 -47.88 83.64 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.09 -0.959 . . . . 2.29 110.26 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -58.59 -43.38 89.47 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.083 -0.71 . . . . 1.92 109.083 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.569 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 72.0 m -59.83 -54.94 40.41 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.844 -1.071 . . . . 1.11 110.543 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.42 88.63 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 112.117 0.414 . . . . 1.07 112.117 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.512 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -56.65 -39.22 73.33 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.265 0.555 . . . . 1.11 111.813 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.569 ' NH2' ' HA ' ' A' ' 48' ' ' THR . 13.4 ttp-105 -64.04 -32.53 74.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.621 -0.718 . . . . 3.14 111.067 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt -79.36 -37.22 37.94 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 115.575 -0.739 . . . . 1.18 110.293 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.512 ' OE2' ' HA ' ' A' ' 50' ' ' ALA . 45.2 mt-10 -54.52 -59.33 4.83 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 123.785 0.678 . . . . 0.64 110.914 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -65.49 -24.38 67.14 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.272 -0.877 . . . . 1.78 111.991 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -81.93 -45.53 15.3 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 112.144 0.424 . . . . 4.47 112.144 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.482 ' CE2' HD21 ' A' ' 5' ' ' LEU . 97.9 m-85 -96.51 -11.9 24.85 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.39 0.515 . . . . 1.64 112.39 -175.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.47 63.41 1.56 Allowed Glycine 0 N--CA 1.433 -1.538 0 C-N-CA 120.673 -0.775 . . . . 0.91 111.816 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 p -149.29 167.59 3.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 107.518 -1.29 . . . . 1.79 107.518 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 p -141.62 121.74 13.8 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.037 0.446 . . . . 2.04 110.722 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.2 mt -126.35 125.28 24.56 Favored Pre-proline 0 C--N 1.3 -1.578 0 N-CA-C 108.791 -0.818 . . . . 1.6 108.791 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.509 ' HB2' HG23 ' A' ' 64' ' ' VAL . 93.4 Cg_exo -47.14 140.78 13.78 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.683 2.922 . . . . 0.8 113.038 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.913 ' HB3' ' HE2' ' A' ' 46' ' ' MET . 14.0 m-20 -53.24 -51.86 60.82 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 124.729 1.212 . . . . 2.19 111.893 -174.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -53.77 -44.22 69.87 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.808 0.843 . . . . 2.48 111.876 -177.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.509 HG23 ' HB2' ' A' ' 61' ' ' PRO . 63.0 t -56.55 -44.52 80.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 124.653 1.181 . . . . 1.31 111.204 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.3 -25.85 66.07 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.825 -0.625 . . . . 1.1 111.941 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.75 0.75 67.75 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.712 -0.756 . . . . 0.97 112.468 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -89.24 -4.83 58.04 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 122.17 -0.606 . . . . 4.05 111.566 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.1 m -86.71 119.88 35.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-O 121.768 0.794 . . . . 1.09 111.36 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -84.67 -34.05 23.09 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.187 -0.915 . . . . 1.88 108.856 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 p -120.83 145.05 40.41 Favored Pre-proline 0 N--CA 1.433 -1.305 0 CA-C-N 114.642 -1.163 . . . . 1.09 110.097 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 31.3 Cg_exo -62.85 -19.8 69.62 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 123.434 2.756 . . . . 0.4 111.842 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.75 -41.28 77.27 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.623 -0.717 . . . . 2.67 109.551 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 67.0 mm-40 -74.66 -39.77 61.84 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.342 -0.845 . . . . 2.23 110.82 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.16 -45.23 95.47 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 108.21 -1.033 . . . . 1.81 108.21 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.45 ' HB2' HD22 ' A' ' 10' ' ' LEU . 37.5 tp -57.65 -50.17 74.04 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 124.057 0.943 . . . . 1.25 109.025 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.57 -35.97 79.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.523 -1.217 . . . . 0.89 111.956 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 77.9 mt -56.61 -54.26 48.13 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 120.823 0.344 . . . . 1.63 110.406 177.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 39.9 mm -64.74 -51.55 65.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.488 -0.778 . . . . 1.29 109.611 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.411 ' HA ' HD23 ' A' ' 4' ' ' LEU . 13.4 m120 -52.37 -53.61 42.53 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.562 0.539 . . . . 1.45 110.868 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.08 -48.71 84.66 Favored Glycine 0 C--O 1.218 -0.888 0 CA-C-N 115.691 -0.686 . . . . 0.5 112.946 -177.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.07 -37.44 85.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.02 0.41 . . . . 1.17 111.773 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.12 -43.85 70.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.515 0.198 . . . . 1.26 110.556 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.214 0.53 . . . . 1.54 111.849 -177.809 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.427 -1.593 0 CA-C-O 122.413 1.102 . . . . 2.28 109.388 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.95 125.52 31.49 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 114.606 -1.179 . . . . 1.62 108.371 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.98 146.36 39.63 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 110.023 -0.362 . . . . 2.09 110.023 -176.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.3 p -92.84 -170.77 2.53 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 112.85 0.685 . . . . 1.41 112.85 -172.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.4 m -59.22 -54.45 46.75 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.829 0.852 . . . . 1.31 110.226 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.417 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 24.8 t70 -66.03 -28.26 68.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.571 -0.286 . . . . 2.29 111.331 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.57 -52.17 64.45 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.604 -0.517 . . . . 1.83 109.604 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.593 HD23 ' HB2' ' A' ' 75' ' ' LEU . 57.3 tp -62.23 -41.99 98.91 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.78 -0.646 . . . . 1.37 109.47 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.451 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.3 ttm180 -50.78 -57.28 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.368 1.067 . . . . 3.48 110.75 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 51.5 mtt180 -68.11 -39.81 82.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.62 -0.264 . . . . 3.93 111.389 -177.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.6 73.75 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.295 0.48 . . . . 1.23 112.295 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.2 tp -77.01 -37.42 55.01 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.825 -0.435 . . . . 1.18 109.825 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 11' ' ' ARG . 94.8 t -62.18 -36.66 75.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 CA-C-N 116.197 -0.456 . . . . 1.34 109.83 176.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 31.5 mm-40 -56.16 -33.61 65.39 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.69 -0.687 . . . . 2.04 111.358 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.239 0.53 0 CA-C-O 121.156 0.503 . . . . 1.74 111.179 -179.882 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.44 ' HA ' ' HB3' ' A' ' 33' ' ' LEU . 33.1 p90 . . . . . 0 C--O 1.203 -1.356 0 CA-C-O 120.397 0.141 . . . . 0.88 111.199 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.511 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.6 mm? -69.27 -36.99 77.65 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.774 -0.37 . . . . 1.85 111.442 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.56 -3.3 33.68 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.288 -0.565 . . . . 2.24 110.379 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' HB3' ' HA ' ' A' ' 30' ' ' PHE . 59.7 tp -73.36 106.07 5.02 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.442 -0.948 . . . . 2.26 108.442 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -63.84 149.55 46.73 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.904 -0.589 . . . . 3.72 112.338 -171.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -66.53 -29.15 69.18 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.423 -0.808 . . . . 0.49 111.146 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.22 -25.1 66.75 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.077 0.465 . . . . 2.48 110.268 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -82.43 -37.63 25.2 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 120.86 0.362 . . . . 2.01 110.511 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.7 pt -90.05 14.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 112.653 0.612 . . . . 1.26 112.653 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.74 49.17 75.29 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.511 -0.768 . . . . 0.55 114.081 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.54 126.61 55.12 Favored 'General case' 0 N--CA 1.423 -1.784 0 N-CA-C 112.292 0.479 . . . . 1.7 112.292 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.493 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 39.0 m-20 -97.97 174.72 6.42 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.884 -1.154 . . . . 1.89 107.884 175.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.666 ' HB3' ' HE1' ' A' ' 46' ' ' MET . 65.2 m -59.04 -39.04 80.78 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.187 1.18 . . . . 0.88 114.187 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.3 -43.12 96.58 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.603 0.594 . . . . 2.3 112.603 -177.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.36 73.82 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.145 0.498 . . . . 1.17 110.841 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 45.9 mt -72.17 -39.34 68.77 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.407 -0.59 . . . . 1.11 109.407 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.666 ' HE1' ' HB3' ' A' ' 42' ' ' SER . 60.0 mtt -65.88 -42.65 90.05 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 115.126 -0.943 . . . . 2.29 109.786 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.35 -43.56 83.57 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 121.77 0.795 . . . . 1.92 109.232 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.528 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 86.1 m -61.52 -56.18 22.81 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.974 -1.012 . . . . 1.11 110.546 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.85 90.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.61 0.243 . . . . 1.07 111.342 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.25 82.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.931 0.715 . . . . 1.11 112.931 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 48' ' ' THR . 5.3 ptp180 -69.61 -32.77 71.68 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 119.856 -0.738 . . . . 3.14 109.33 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.59 -33.73 66.93 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.435 -0.802 . . . . 1.18 110.016 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -55.3 -59.72 4.4 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 123.714 0.634 . . . . 0.64 110.034 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.2 m -61.74 -28.23 69.28 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 114.912 -1.04 . . . . 1.78 112.0 -176.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -81.12 -44.95 17.17 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.932 -0.577 . . . . 4.47 111.914 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -101.29 -9.96 20.74 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 114.318 1.229 . . . . 1.64 114.318 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.21 58.03 2.68 Favored Glycine 0 C--O 1.248 0.973 0 C-N-CA 120.521 -0.847 . . . . 0.91 112.155 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.8 p -145.54 134.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 108.537 -0.912 . . . . 1.79 108.537 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.1 m -106.07 118.74 37.41 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 120.82 0.343 . . . . 2.04 110.662 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.645 HD12 HD12 ' A' ' 78' ' ' ILE . 79.7 mt -131.78 124.67 19.94 Favored Pre-proline 0 C--N 1.31 -1.137 0 N-CA-C 108.924 -0.769 . . . . 1.6 108.924 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.571 ' HB2' HG23 ' A' ' 64' ' ' VAL . 38.4 Cg_exo -55.54 135.48 69.47 Favored 'Trans proline' 0 C--O 1.243 0.742 0 C-N-CA 123.142 2.561 . . . . 0.8 112.405 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -55.44 -38.65 69.28 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 123.839 0.855 . . . . 2.19 112.01 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -65.47 -21.32 66.63 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.728 0.299 . . . . 2.48 111.687 -176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.571 HG23 ' HB2' ' A' ' 61' ' ' PRO . 61.3 t -71.31 -35.05 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.342 0.591 . . . . 1.31 109.877 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.13 -7.85 54.07 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.956 -0.565 . . . . 1.1 111.275 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.54 18.31 55.39 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 111.252 -0.739 . . . . 0.97 111.252 177.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -114.53 -0.96 13.53 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.477 0.656 . . . . 4.05 109.849 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.493 HG22 HD23 ' A' ' 74' ' ' LEU . 26.5 m -95.21 118.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-O 121.629 0.728 . . . . 1.09 111.514 -174.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -85.91 -35.66 20.38 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.99 -1.004 . . . . 1.88 108.777 -177.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -121.5 148.22 49.61 Favored Pre-proline 0 CA--C 1.552 1.04 0 CA-C-N 115.038 -0.983 . . . . 1.09 110.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.28 -24.53 77.63 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.966 3.111 . . . . 0.4 113.351 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.511 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 41.9 ttm180 -59.03 -36.62 75.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.184 0.516 . . . . 2.67 110.133 177.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 33.8 mt-10 -72.89 -40.98 65.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.313 -0.858 . . . . 2.23 109.911 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.493 HD23 HG22 ' A' ' 68' ' ' VAL . 3.0 tm? -63.74 -41.18 98.08 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.991 -0.744 . . . . 1.81 108.991 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.593 ' HB2' HD23 ' A' ' 10' ' ' LEU . 58.5 tp -60.35 -44.31 95.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.293 -0.867 . . . . 1.25 109.626 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.7 -29.78 69.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.057 -0.974 . . . . 0.89 111.834 -177.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 85.9 mt -62.83 -50.26 71.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.98 0.419 . . . . 1.63 110.209 177.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.645 HD12 HD12 ' A' ' 60' ' ' ILE . 49.4 mm -68.75 -63.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.462 -0.79 . . . . 1.29 109.806 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.66 -33.77 74.54 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.603 -0.726 . . . . 1.45 111.945 -175.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.04 -37.96 92.28 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.484 -0.389 . . . . 0.5 112.254 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.57 -35.24 65.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.175 0.512 . . . . 1.17 109.684 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.22 -31.73 71.45 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 115.892 -0.594 . . . . 1.26 110.767 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 C-N-CA 122.816 0.446 . . . . 1.54 111.768 179.592 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.445 -0.72 0 CA-C-O 121.387 0.613 . . . . 2.28 109.836 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.29 121.52 23.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.978 -0.379 . . . . 1.62 109.978 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.634 HD21 ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -69.47 150.41 47.23 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 112.938 0.718 . . . . 2.09 112.938 178.617 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.5 p -106.05 -170.44 1.73 Allowed 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.603 -0.726 . . . . 1.41 111.88 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.5 m -66.77 -37.53 84.79 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.18 -0.674 . . . . 1.31 109.18 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 20.7 m-20 -54.92 -50.16 69.5 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 115.825 -0.625 . . . . 2.29 110.245 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.24 -47.39 70.92 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.024 -0.989 . . . . 1.83 110.488 -177.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 75' ' ' LEU . 54.5 tp -56.0 -44.09 78.3 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.754 0.658 . . . . 1.37 110.733 178.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ttp-105 -59.61 -55.32 35.98 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.803 -0.635 . . . . 3.48 110.559 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 65.3 mtt180 -59.8 -40.36 88.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.773 -0.649 . . . . 3.93 110.347 -178.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . -67.53 -42.66 82.38 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.62 0.575 . . . . 1.23 112.296 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 tp -69.52 -40.9 76.64 Favored 'General case' 0 C--N 1.309 -1.164 0 O-C-N 121.958 -0.464 . . . . 1.18 110.838 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.2 t -70.29 -17.4 20.76 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 CA-C-O 121.995 0.903 . . . . 1.34 109.769 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.434 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 33.0 tt0 -79.61 -31.56 41.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.032 -0.985 . . . . 2.04 109.101 177.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.574 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 43.8 m . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.313 0.578 . . . . 1.74 109.807 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.403 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 16.2 p90 . . . . . 0 C--O 1.207 -1.157 0 CA-C-O 120.705 0.288 . . . . 0.88 110.3 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.6 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 6.5 mp -66.9 -28.4 68.28 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 114.387 1.254 . . . . 1.85 114.387 -173.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.4 11.89 18.62 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.838 0.827 . . . . 2.24 109.643 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.7 tp -90.09 102.56 15.28 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 106.569 -1.641 . . . . 2.26 106.569 176.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -57.38 150.61 17.97 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 113.302 0.853 . . . . 3.72 113.302 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.552 ' HA ' HG12 ' A' ' 38' ' ' ILE . 77.9 m-85 -71.2 -37.44 72.09 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.822 -1.081 . . . . 0.49 109.732 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.56 -31.94 73.38 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.604 -0.887 . . . . 2.48 108.604 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -81.6 -10.52 59.41 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.83 -1.077 . . . . 2.01 110.772 -176.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.552 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.8 pt -118.91 18.36 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 116.31 -0.404 . . . . 1.26 110.646 175.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.1 42.13 99.69 Favored Glycine 0 CA--C 1.525 0.68 0 CA-C-N 115.455 -0.793 . . . . 0.55 114.62 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.87 147.35 28.82 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 117.134 0.467 . . . . 1.7 110.459 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -96.25 148.67 22.5 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.87 -0.789 . . . . 1.89 108.87 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.49 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 48.1 m -65.12 -24.48 67.43 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.871 0.367 . . . . 0.88 111.799 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.34 -32.09 72.79 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.064 0.459 . . . . 2.3 109.829 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.29 -24.57 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.653 -0.703 . . . . 1.17 110.111 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.49 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 50.4 mt -70.82 -37.73 73.23 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.859 -0.793 . . . . 1.11 108.859 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.424 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 62.0 mtt -61.78 -44.76 96.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.634 -1.166 . . . . 2.29 108.786 176.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.0 -38.81 87.36 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.316 -0.856 . . . . 1.92 111.114 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.579 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 91.8 m -63.83 -54.56 33.16 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.744 -0.662 . . . . 1.11 110.708 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.45 78.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.65 0.262 . . . . 1.07 110.863 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.57 -38.69 85.4 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.642 0.608 . . . . 1.11 112.642 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.9 ptp180 -71.17 -24.02 62.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.598 0.713 . . . . 3.14 109.953 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -83.93 -26.51 29.26 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.529 -0.759 . . . . 1.18 111.346 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.436 ' HG3' ' HA ' ' A' ' 50' ' ' ALA . 47.4 mt-10 -53.9 -62.25 1.78 Allowed 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 123.467 0.479 . . . . 0.64 111.208 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.9 m -74.43 -23.41 58.92 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.878 -0.601 . . . . 1.78 111.46 -174.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -69.91 -36.85 75.69 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.876 -0.602 . . . . 4.47 110.333 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.634 ' CE1' HD21 ' A' ' 5' ' ' LEU . 92.4 m-85 -108.21 4.01 24.28 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.995 0.739 . . . . 1.64 112.995 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.81 22.79 71.17 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 116.258 -0.428 . . . . 0.91 113.607 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.1 m -115.46 176.52 2.27 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 C-N-CA 122.391 0.276 . . . . 1.79 110.943 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -143.59 133.31 23.78 Favored 'General case' 0 N--CA 1.426 -1.632 0 N-CA-C 109.232 -0.655 . . . . 2.04 109.232 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.647 HD11 HD11 ' A' ' 78' ' ' ILE . 59.5 mt -134.13 121.42 15.6 Favored Pre-proline 0 C--N 1.316 -0.887 0 CA-C-N 115.879 -0.601 . . . . 1.6 109.552 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -58.1 153.04 47.93 Favored 'Trans proline' 0 CA--C 1.547 1.136 0 C-N-CA 123.467 2.778 . . . . 0.8 113.604 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.85 -47.9 79.3 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.314 1.045 . . . . 2.19 112.947 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 15.5 m-20 -67.02 -17.25 64.83 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 111.927 0.343 . . . . 2.48 111.927 -175.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.403 HG11 HD13 ' A' ' 77' ' ' LEU . 61.4 t -78.97 -52.32 15.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 108.401 -0.963 . . . . 1.31 108.401 178.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 46' ' ' MET . . . -61.0 -30.78 70.49 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.364 -0.835 . . . . 1.1 111.859 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.49 5.65 82.49 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.261 -0.971 . . . . 0.97 112.892 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 37.2 ttt180 -98.29 0.63 45.97 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.443 0.64 . . . . 4.05 110.506 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.518 HG23 HD23 ' A' ' 74' ' ' LEU . 31.2 m -94.38 120.67 44.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-O 121.692 0.758 . . . . 1.09 112.331 -177.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -77.94 -41.42 36.4 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.009 -0.996 . . . . 1.88 110.38 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -119.95 146.38 41.93 Favored Pre-proline 0 N--CA 1.435 -1.187 0 CA-C-N 115.991 -0.549 . . . . 1.09 111.352 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 52.2 Cg_exo -59.73 -21.74 64.62 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.983 3.122 . . . . 0.4 113.879 -179.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.6 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 40.5 ttm180 -61.75 -32.67 72.94 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.55 -0.537 . . . . 2.67 109.55 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 59.2 mm-40 -82.06 -33.24 30.0 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.78 -0.646 . . . . 2.23 110.894 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.527 HD13 HD11 ' A' ' 10' ' ' LEU . 2.9 tm? -65.46 -39.44 92.0 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 108.33 -0.989 . . . . 1.81 108.33 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.617 ' HB2' HD22 ' A' ' 10' ' ' LEU . 48.7 tp -59.38 -48.59 81.07 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 115.234 -0.894 . . . . 1.25 108.735 175.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.26 -32.72 74.19 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 114.164 -1.38 . . . . 0.89 112.602 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 81.8 mt -58.61 -47.39 84.5 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 120.952 0.406 . . . . 1.63 110.452 177.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.647 HD11 HD11 ' A' ' 60' ' ' ILE . 41.2 mm -70.73 -50.87 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 108.935 -0.765 . . . . 1.29 108.935 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.412 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 12.3 m120 -52.41 -46.23 66.22 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.475 0.484 . . . . 1.45 111.261 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.5 -47.35 91.17 Favored Glycine 0 N--CA 1.439 -1.142 0 O-C-N 123.604 0.565 . . . . 0.5 112.338 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.4 94.59 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.44 0.638 . . . . 1.17 110.536 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.616 HD23 ' HB3' ' A' ' 56' ' ' TYR . 93.0 mt -68.4 -37.1 80.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.305 -0.862 . . . . 1.26 110.47 178.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 121.231 0.539 . . . . 1.54 110.409 177.589 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.438 -1.048 0 CA-C-O 121.328 0.585 . . . . 2.28 109.541 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.83 140.45 49.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.309 -0.626 . . . . 1.62 109.309 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.99 157.26 21.92 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 116.388 -0.369 . . . . 2.09 111.172 176.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.7 p -94.05 -170.84 2.4 Favored 'General case' 0 N--CA 1.428 -1.574 0 O-C-N 123.549 0.531 . . . . 1.41 111.45 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -73.99 -43.61 57.45 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 108.477 -0.934 . . . . 1.31 108.477 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 31.8 t70 -62.04 -33.62 74.72 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.92 -0.582 . . . . 2.29 110.792 178.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -72.22 -42.76 65.36 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.428 -0.509 . . . . 1.83 110.216 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.668 HD23 ' HB2' ' A' ' 75' ' ' LEU . 51.1 tp -56.96 -46.32 82.24 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.945 -0.761 . . . . 1.37 108.945 174.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 61.8 ttt180 -52.96 -51.73 60.48 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.622 -1.172 . . . . 3.48 110.984 176.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 66.9 mtp180 -57.0 -43.96 82.29 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.419 0.628 . . . . 3.93 111.413 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.461 ' HB2' HD23 ' A' ' 52' ' ' LEU . . . -71.63 -25.8 62.3 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.443 -0.799 . . . . 1.23 111.442 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.543 ' HG ' ' OH ' ' A' ' 40' ' ' TYR . 15.1 tp -81.71 -48.64 11.42 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.508 -0.553 . . . . 1.18 109.508 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.41 HG21 ' O ' ' A' ' 11' ' ' ARG . 70.8 t -60.68 -17.77 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.525 0.73 . . . . 1.34 112.347 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.79 -28.14 67.35 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.866 -0.522 . . . . 2.04 109.785 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.442 -0.854 0 N-CA-C 112.1 0.408 . . . . 1.74 112.1 175.763 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.414 ' HB2' HD13 ' A' ' 33' ' ' LEU . 51.7 p90 . . . . . 0 N--CA 1.464 0.245 0 N-CA-C 112.893 0.701 . . . . 0.88 112.893 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.639 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 5.8 mp -67.81 -12.96 61.69 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 113.755 1.02 . . . . 1.85 113.755 -176.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -101.92 -1.31 32.28 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 111.527 0.195 . . . . 2.24 111.527 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.467 ' O ' ' HD3' ' A' ' 71' ' ' PRO . 94.5 mt -77.0 115.76 17.07 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 109.377 -0.601 . . . . 2.26 109.377 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -66.48 145.21 55.9 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 120.971 0.415 . . . . 3.72 110.661 -178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.625 ' HB3' ' HB2' ' A' ' 40' ' ' TYR . 48.2 m-85 -63.74 -24.22 67.68 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.655 -0.702 . . . . 0.49 111.438 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.54 -44.6 96.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.127 -0.488 . . . . 2.48 110.255 174.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.22 -42.67 71.99 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 116.037 -0.529 . . . . 2.01 110.053 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.488 HD12 ' CD1' ' A' ' 35' ' ' PHE . 30.9 pt -86.85 14.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 113.555 0.946 . . . . 1.26 113.555 -176.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.13 50.35 63.94 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 115.14 0.816 . . . . 0.55 115.14 173.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.625 ' HB2' ' HB3' ' A' ' 35' ' ' PHE . 13.4 m-85 -106.36 157.53 17.54 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 113.096 0.776 . . . . 1.7 113.096 178.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.461 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 9.9 t0 -115.65 159.68 21.02 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 105.754 -1.943 . . . . 1.89 105.754 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.524 ' O ' ' HG3' ' A' ' 46' ' ' MET . 19.4 m -67.68 -39.9 84.44 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 108.905 -0.776 . . . . 0.88 108.905 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.42 -31.63 71.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.005 -0.543 . . . . 2.3 109.638 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.08 -35.0 76.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 1.17 109.64 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.642 ' HB2' ' HA2' ' A' ' 66' ' ' GLY . 93.6 mt -71.65 -38.68 70.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.991 -0.549 . . . . 1.11 110.057 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.524 ' HG3' ' O ' ' A' ' 42' ' ' SER . 63.7 mtt -62.98 -43.24 99.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.396 -0.82 . . . . 2.29 109.239 176.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.9 -43.7 91.08 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.771 -0.649 . . . . 1.92 109.523 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.5 m -57.71 -51.89 67.69 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.313 -0.858 . . . . 1.11 110.748 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -65.23 -41.22 94.6 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.754 -0.203 . . . . 1.07 111.451 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -57.23 -41.4 79.46 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.599 0.592 . . . . 1.11 112.599 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -72.34 -23.88 61.21 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.966 -0.459 . . . . 3.14 111.886 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 13' ' ' ALA . 94.2 mt -82.86 -39.65 21.32 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 116.061 -0.518 . . . . 1.18 110.75 178.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' HA ' HG23 ' A' ' 58' ' ' VAL . 49.3 mt-10 -51.71 -49.76 61.83 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 122.796 0.439 . . . . 0.64 110.2 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.8 t -57.39 -43.64 83.85 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.536 -1.211 . . . . 1.78 112.239 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -77.17 -37.83 52.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.304 0.573 . . . . 4.47 111.305 -175.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.566 ' HB3' HD21 ' A' ' 82' ' ' LEU . 99.6 m-85 -95.1 -9.13 34.52 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 113.934 1.087 . . . . 1.64 113.934 -173.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.73 38.75 23.07 Favored Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 121.166 -0.54 . . . . 0.91 112.783 175.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 53' ' ' GLU . 34.3 m -115.87 175.63 2.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-O 120.845 0.355 . . . . 1.79 111.41 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -139.95 112.68 7.99 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 108.983 -0.747 . . . . 2.04 108.983 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.9 mt -127.44 122.86 22.95 Favored Pre-proline 0 C--N 1.307 -1.24 0 N-CA-C 108.506 -0.924 . . . . 1.6 108.506 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -58.53 132.76 50.24 Favored 'Trans proline' 0 C--O 1.251 1.127 0 C-N-CA 122.715 2.277 . . . . 0.8 112.717 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.519 ' O ' ' HG2' ' A' ' 46' ' ' MET . 9.5 m-20 -49.8 -50.5 44.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.532 1.133 . . . . 2.19 110.933 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.39 -30.71 63.07 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.745 0.818 . . . . 2.48 111.759 -175.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 86.3 t -79.77 -51.68 15.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 C-N-CA 123.764 0.826 . . . . 1.31 109.592 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.16 -36.4 63.32 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 123.933 0.893 . . . . 1.1 112.382 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.642 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -85.84 -8.83 78.94 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.218 -0.991 . . . . 0.97 113.463 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -100.13 14.54 30.41 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.949 0.88 . . . . 4.05 110.941 -174.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.1 m -81.43 161.17 3.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.155 -0.683 . . . . 1.09 109.155 173.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -117.25 -36.5 3.75 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.318 0.58 . . . . 1.88 111.341 -175.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 p -122.37 147.05 48.82 Favored Pre-proline 0 C--N 1.302 -1.487 0 CA-C-N 115.79 -0.641 . . . . 1.09 110.467 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.511 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 74.6 Cg_exo -53.89 -29.27 52.7 Favored 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 124.164 3.242 . . . . 0.4 113.844 -176.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.639 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 5.5 ptp180 -60.05 -35.24 74.71 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 120.694 0.283 . . . . 2.67 111.13 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.554 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 36.0 mt-10 -72.69 -36.32 67.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.091 -0.504 . . . . 2.23 110.818 -176.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.413 HD23 HD12 ' A' ' 77' ' ' LEU . 2.4 tm? -73.27 -39.0 65.74 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.077 -1.083 . . . . 1.81 108.077 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.668 ' HB2' HD23 ' A' ' 10' ' ' LEU . 46.3 tp -60.76 -47.05 88.05 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.554 -0.906 . . . . 1.25 108.554 175.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.01 -34.91 77.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.315 -1.312 . . . . 0.89 112.232 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 69.5 mt -60.12 -38.31 82.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.998 0.428 . . . . 1.63 110.553 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.2 mm -77.46 -56.92 6.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.945 -0.761 . . . . 1.29 108.945 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.423 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 14.0 m120 -51.86 -48.91 63.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.376 0.671 . . . . 1.45 111.886 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.88 -41.21 99.62 Favored Glycine 0 CA--C 1.506 -0.498 0 O-C-N 123.443 0.464 . . . . 0.5 112.828 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.44 -47.63 81.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.23 0.538 . . . . 1.17 110.039 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.566 HD21 ' HB3' ' A' ' 56' ' ' TYR . 90.7 mt -66.7 -34.93 78.94 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.39 -0.823 . . . . 1.26 111.739 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 121.408 0.623 . . . . 1.54 110.775 178.863 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.425 -1.716 0 N-CA-C 108.403 -0.962 . . . . 2.28 108.403 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 79' ' ' ASN . 72.1 mt -73.07 125.13 26.95 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 120.967 0.413 . . . . 1.62 110.403 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.568 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 3.3 pp -79.27 149.03 31.94 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 116.144 -0.48 . . . . 2.09 109.745 174.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.4 p -96.15 -170.62 2.14 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 116.263 -0.426 . . . . 1.41 110.395 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -65.46 -44.63 86.61 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.414 -0.587 . . . . 1.31 109.414 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.75 -41.05 99.03 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.858 -0.61 . . . . 2.29 111.247 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.568 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 55.4 m-20 -63.55 -42.78 98.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 110.066 -0.346 . . . . 1.83 110.066 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.46 HD23 ' HB2' ' A' ' 75' ' ' LEU . 48.5 tp -60.46 -44.52 95.78 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 123.71 0.631 . . . . 1.37 110.948 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.5 ttm105 -55.45 -52.82 62.37 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.214 0.53 . . . . 3.48 110.316 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -63.78 -39.89 95.35 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.227 -0.897 . . . . 3.93 110.712 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.04 -31.51 71.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.639 -0.71 . . . . 1.23 111.481 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.8 tp -78.78 -52.51 8.26 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 122.215 -0.303 . . . . 1.18 110.813 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.9 t -61.17 -23.23 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 116.063 -0.517 . . . . 1.34 111.649 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -60.24 -28.08 67.74 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 122.981 0.512 . . . . 2.04 111.201 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--N 1.321 -0.673 0 CA-C-O 121.218 0.532 . . . . 1.74 110.447 178.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.4 p90 . . . . . 0 C--O 1.198 -1.629 0 N-CA-C 112.174 0.435 . . . . 0.88 112.174 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.6 ' O ' ' HB ' ' A' ' 70' ' ' THR . 2.8 mm? -77.97 -24.39 48.09 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 120.618 -0.433 . . . . 1.85 109.961 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -101.03 -12.29 18.98 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-O 121.765 0.793 . . . . 2.24 109.785 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.8 tp -80.45 115.58 20.06 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 106.901 -1.518 . . . . 2.26 106.901 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.437 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 58.0 mtm180 -83.74 163.24 20.33 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.297 0.57 . . . . 3.72 110.826 -171.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.511 ' HA ' HG12 ' A' ' 38' ' ' ILE . 73.6 m-85 -70.18 -32.22 70.05 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.169 -0.923 . . . . 0.49 110.639 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -37.53 81.38 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.29 -1.004 . . . . 2.48 108.29 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 38.0 m-20 -71.96 -30.43 65.29 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.692 -0.686 . . . . 2.01 110.536 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.511 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -104.6 20.84 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 113.552 0.945 . . . . 1.26 113.552 -176.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.31 31.67 81.52 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 114.307 0.483 . . . . 0.55 114.307 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -102.55 122.91 45.31 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 122.452 -0.44 . . . . 1.7 111.014 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.96 157.17 25.64 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.764 -0.653 . . . . 1.89 111.127 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 m -60.89 -34.33 74.49 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 123.651 0.78 . . . . 0.88 110.502 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.93 -34.53 78.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.837 -0.619 . . . . 2.3 110.479 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.85 -29.98 67.35 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.836 -0.62 . . . . 1.17 109.663 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -72.03 -43.43 65.0 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.039 -0.528 . . . . 1.11 110.105 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.608 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 65.2 mtt -61.68 -45.0 95.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.684 -0.689 . . . . 2.29 109.713 177.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.18 -43.19 96.04 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.334 -0.848 . . . . 1.92 109.306 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.481 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 40.7 m -61.09 -51.86 67.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 1.11 111.124 177.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.23 -32.14 72.78 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 121.122 -0.231 . . . . 1.07 111.143 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.69 94.26 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.213 0.53 . . . . 1.11 110.292 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.9 ttp-105 -60.89 -33.62 73.39 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.554 0.742 . . . . 3.14 110.254 176.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 48' ' ' THR . 86.6 mt -75.88 -38.02 58.27 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.488 -0.778 . . . . 1.18 111.122 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 48.3 mt-10 -56.11 -55.81 28.42 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.613 0.72 . . . . 0.64 110.338 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.7 p -66.11 -45.79 79.86 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 114.395 -1.275 . . . . 1.78 112.753 -174.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.83 -39.18 64.23 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 112.923 0.712 . . . . 4.47 112.923 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -96.17 -2.19 46.84 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.663 0.616 . . . . 1.64 112.663 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.74 63.71 3.23 Favored Glycine 0 C--N 1.317 -0.52 0 C-N-CA 121.225 -0.512 . . . . 0.91 112.452 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.8 p -153.09 175.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.435 -1.32 . . . . 1.79 107.435 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -140.94 136.14 31.92 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 108.267 -1.012 . . . . 2.04 108.267 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.3 mt -136.55 130.88 18.14 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 108.734 -0.839 . . . . 1.6 108.734 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.455 ' HB2' HG22 ' A' ' 64' ' ' VAL . 68.6 Cg_exo -53.77 125.5 18.84 Favored 'Trans proline' 0 C--O 1.246 0.907 0 C-N-CA 122.77 2.313 . . . . 0.8 111.768 177.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.608 ' O ' ' HG2' ' A' ' 46' ' ' MET . 5.0 p-10 -63.53 -35.95 82.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.19 -0.914 . . . . 2.19 112.604 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.05 -25.37 65.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.72 0.771 . . . . 2.48 110.628 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 61' ' ' PRO . 94.2 t -72.61 -44.45 60.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 CA-C-N 114.751 -1.113 . . . . 1.31 109.031 177.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.88 -41.33 82.31 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 115.541 -0.754 . . . . 1.1 109.196 176.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.486 ' HA3' ' HE2' ' A' ' 46' ' ' MET . . . -86.45 53.98 4.62 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.04 -0.824 . . . . 0.97 111.04 175.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -153.28 -36.8 0.1 Allowed 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 123.382 0.673 . . . . 4.05 109.707 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 73' ' ' GLU . 34.8 m -58.54 111.5 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-O 121.642 0.734 . . . . 1.09 111.79 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -73.32 -43.24 61.2 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-O 121.437 0.636 . . . . 1.88 110.174 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.6 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 36.5 p -109.57 145.63 32.34 Favored Pre-proline 0 N--CA 1.418 -2.057 0 CA-C-N 115.098 -0.955 . . . . 1.09 110.871 -177.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.82 -17.54 55.79 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.623 2.882 . . . . 0.4 112.447 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 20.3 ttm180 -62.87 -37.01 85.17 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.951 -1.129 . . . . 2.67 107.951 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.55 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 33.7 mt-10 -72.46 -36.56 68.52 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.876 -1.056 . . . . 2.23 110.324 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.89 -41.72 77.89 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.198 -1.038 . . . . 1.81 108.198 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.46 ' HB2' HD23 ' A' ' 10' ' ' LEU . 49.1 tp -60.26 -44.91 94.89 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.932 -0.766 . . . . 1.25 108.932 176.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.11 -39.78 83.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.596 -1.183 . . . . 0.89 111.587 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 81.5 mt -57.58 -51.35 69.84 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 109.912 -0.403 . . . . 1.63 109.912 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.521 HG22 ' HG ' ' A' ' 5' ' ' LEU . 42.6 mm -61.76 -59.41 4.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.859 -0.61 . . . . 1.29 110.807 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.549 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.6 m120 -56.5 -44.01 80.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.696 0.284 . . . . 1.45 111.234 -176.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.92 80.68 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 116.165 -0.47 . . . . 0.5 112.735 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.24 -36.67 79.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.809 0.304 . . . . 1.17 111.302 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.9 -19.56 65.18 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 112.247 0.462 . . . . 1.26 112.247 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.847 0 CA-C-O 121.067 0.461 . . . . 1.54 110.191 177.139 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.429 -1.491 0 N-CA-C 106.554 -1.647 . . . . 2.28 106.554 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 79' ' ' ASN . 77.9 mt -93.36 132.44 37.58 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.775 -0.578 . . . . 1.62 111.028 -175.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.418 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 2.5 pt? -70.79 151.51 44.75 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-N 115.443 -0.799 . . . . 2.09 109.109 175.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.4 p -91.08 -170.69 2.74 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 116.442 -0.345 . . . . 1.41 110.156 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.2 m -67.06 -42.37 84.88 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 109.332 -0.618 . . . . 1.31 109.332 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.576 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.9 m-20 -67.32 -29.1 68.58 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.814 -0.63 . . . . 2.29 112.332 -177.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.418 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 21.3 m-20 -65.68 -41.58 92.27 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 120.785 -0.366 . . . . 1.83 110.293 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.725 HD21 ' HB2' ' A' ' 75' ' ' LEU . 52.6 tp -67.84 -44.55 76.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.87 -0.789 . . . . 1.37 108.87 176.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 73.9 ttt180 -49.68 -56.41 10.24 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.955 1.302 . . . . 3.48 111.698 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 41.0 mtt180 -60.6 -45.83 92.52 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.666 -0.494 . . . . 3.93 109.666 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.409 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . . . -63.13 -39.12 93.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.886 . . . . 1.23 112.986 -175.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.3 tp -71.11 -47.62 57.02 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 116.246 -0.434 . . . . 1.18 110.708 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.28 -31.72 55.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.452 0.644 . . . . 1.34 109.982 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -64.07 -25.52 68.14 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.353 -0.839 . . . . 2.04 110.244 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 116.149 -0.478 . . . . 1.74 111.996 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 p90 . . . . . 0 C--O 1.211 -0.935 0 CA-C-O 120.965 0.412 . . . . 0.88 110.763 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.727 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.4 mm? -77.28 -22.11 52.58 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.136 -0.484 . . . . 1.85 110.55 -175.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.76 -22.47 29.61 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.627 0.579 . . . . 2.24 109.839 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.41 145.25 45.97 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 115.195 -0.911 . . . . 2.26 109.227 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -89.36 146.51 24.64 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 120.116 -0.634 . . . . 3.72 110.194 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.452 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 43.6 m-85 -62.42 -30.57 71.32 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.961 0.41 . . . . 0.49 110.627 177.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.34 -37.97 87.67 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.26 -0.882 . . . . 2.48 109.191 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -74.62 -24.15 58.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.386 -0.825 . . . . 2.01 111.355 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.423 HG12 ' HA ' ' A' ' 35' ' ' PHE . 33.5 pt -103.46 18.05 4.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.104 0.478 . . . . 1.26 111.891 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.75 22.54 70.13 Favored Glycine 0 CA--C 1.525 0.675 0 CA-C-N 115.785 -0.643 . . . . 0.55 114.658 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -89.72 145.31 25.3 Favored 'General case' 0 N--CA 1.428 -1.565 0 O-C-N 122.275 -0.544 . . . . 1.7 111.521 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.513 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.7 p30 -112.58 162.62 15.46 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.738 -1.119 . . . . 1.89 110.268 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -55.81 -37.44 68.65 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 125.263 1.425 . . . . 0.88 112.295 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.03 -46.51 84.13 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.166 -0.47 . . . . 2.3 109.812 -176.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.11 -30.7 71.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.175 -0.92 . . . . 1.17 111.257 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 58.8 mt -74.06 -43.24 58.51 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.22 -0.445 . . . . 1.11 110.203 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.467 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 68.2 mtm -66.42 -39.03 88.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.9 -0.591 . . . . 2.29 109.655 178.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -57.59 -35.26 70.18 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.386 1.074 . . . . 1.92 109.257 176.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.576 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 85.2 m -72.6 -58.74 3.13 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.041 -0.981 . . . . 1.11 110.715 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.88 -43.79 66.39 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 111.978 0.362 . . . . 1.07 111.978 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.6 66.63 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.289 0.848 . . . . 1.11 113.289 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.6 ptp180 -84.53 -23.43 29.77 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.675 0.75 . . . . 3.14 109.944 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -77.54 -33.43 54.16 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.663 -0.698 . . . . 1.18 109.869 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -55.75 -53.4 57.05 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.189 -0.914 . . . . 0.64 111.792 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.4 p -67.33 -27.85 67.48 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.628 -0.715 . . . . 1.78 111.938 -176.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -82.44 -45.51 14.68 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 120.509 -0.476 . . . . 4.47 111.746 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -97.63 4.93 50.03 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 114.592 1.33 . . . . 1.64 114.592 -174.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.18 58.35 8.17 Favored Glycine 0 C--N 1.315 -0.629 0 C-N-CA 120.693 -0.765 . . . . 0.91 112.6 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.97 147.46 21.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 N-CA-C 108.486 -0.931 . . . . 1.79 108.486 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 t -118.59 113.29 21.02 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.891 -0.781 . . . . 2.04 108.891 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.505 HD11 HD12 ' A' ' 78' ' ' ILE . 72.8 mt -130.33 130.21 22.98 Favored Pre-proline 0 C--N 1.303 -1.422 0 N-CA-C 108.337 -0.986 . . . . 1.6 108.337 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -57.31 120.34 8.19 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.959 1.772 . . . . 0.8 110.039 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 46' ' ' MET . 7.8 p-10 -61.4 -23.92 66.14 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 112.179 0.437 . . . . 2.19 112.179 -175.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -57.95 -29.3 65.07 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 120.921 0.391 . . . . 2.48 111.754 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.7 t -68.89 -28.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.274 0.559 . . . . 1.31 110.313 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.92 -9.85 58.97 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-N 115.957 -0.565 . . . . 1.1 110.346 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.41 18.55 57.28 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.698 -0.961 . . . . 0.97 110.698 176.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -131.6 2.22 4.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.383 0.611 . . . . 4.05 109.4 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 m -85.54 126.64 40.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.463 0.649 . . . . 1.09 110.08 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -92.01 -39.38 11.69 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.27 -0.877 . . . . 1.88 110.656 -172.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 36.7 p -119.42 153.06 53.62 Favored Pre-proline 0 C--N 1.309 -1.177 0 CA-C-N 115.459 -0.792 . . . . 1.09 109.575 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.452 ' HG3' ' CE1' ' A' ' 35' ' ' PHE . 46.7 Cg_exo -59.56 -23.33 70.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 123.092 2.528 . . . . 0.4 112.323 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.727 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 42.7 ttm180 -60.63 -41.34 94.68 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 109.777 -0.453 . . . . 2.67 109.777 178.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.568 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 45.2 mt-10 -69.26 -38.69 78.53 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 123.341 0.401 . . . . 2.23 110.886 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.7 -42.24 95.44 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.232 -1.025 . . . . 1.81 108.232 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.725 ' HB2' HD21 ' A' ' 10' ' ' LEU . 46.0 tp -66.76 -43.03 85.18 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.455 -0.793 . . . . 1.25 109.579 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.25 -34.33 77.44 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 114.772 -1.104 . . . . 0.89 111.303 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 66.8 mt -57.48 -51.23 70.31 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.937 0.399 . . . . 1.63 110.01 175.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.505 HD12 HD11 ' A' ' 60' ' ' ILE . 31.3 mm -67.71 -57.07 10.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.47 -0.786 . . . . 1.29 109.139 -178.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.417 ' HA ' HD22 ' A' ' 4' ' ' LEU . 11.5 m120 -51.5 -49.24 62.25 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 123.433 0.458 . . . . 1.45 111.768 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.26 -47.35 88.68 Favored Glycine 0 CA--C 1.499 -0.945 0 CA-C-N 115.942 -0.572 . . . . 0.5 113.072 -176.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.19 85.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.965 0.412 . . . . 1.17 110.953 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.69 -47.66 65.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.946 -0.57 . . . . 1.26 110.791 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.533 0 CA-C-O 121.326 0.584 . . . . 1.54 111.091 -179.253 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.425 -1.691 0 N-CA-C 109.421 -0.585 . . . . 2.28 109.421 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.8 mt -60.13 120.68 10.2 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 108.746 -0.835 . . . . 1.62 108.746 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.458 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 4.5 pp -82.2 153.34 26.0 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 116.057 -0.52 . . . . 2.09 110.314 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.8 p -113.42 -168.62 1.36 Allowed 'General case' 0 N--CA 1.426 -1.634 0 N-CA-C 112.176 0.436 . . . . 1.41 112.176 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.5 m -48.96 -54.87 13.74 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 125.289 1.436 . . . . 1.31 112.452 -177.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.477 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 19.6 m-20 -70.44 -27.64 64.41 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.708 0.633 . . . . 2.29 112.708 -175.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 15.9 m-20 -63.85 -50.15 69.99 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 108.934 -0.765 . . . . 1.83 108.934 175.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.69 -46.09 91.17 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 114.956 -1.02 . . . . 1.37 109.044 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.477 ' HB3' ' HA ' ' A' ' 8' ' ' ASP . 69.0 ttt180 -45.97 -60.61 2.16 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.203 1.401 . . . . 3.48 112.126 177.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 99.3 mtt180 -59.46 -45.75 90.74 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.275 -0.421 . . . . 3.93 111.483 -176.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 16' ' ' GLU . . . -67.69 -35.95 79.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.591 -0.731 . . . . 1.23 111.15 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.501 HD13 HG21 ' A' ' 48' ' ' THR . 60.0 tp -74.66 -27.96 60.64 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 115.801 -0.636 . . . . 1.18 111.28 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 11' ' ' ARG . 85.5 t -68.95 -36.33 73.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.534 -0.913 . . . . 1.34 108.534 173.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 55.1 mt-10 -60.65 -43.99 96.93 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.027 -0.988 . . . . 2.04 112.339 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.483 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 17.7 m . . . . . 0 C--O 1.247 0.935 0 C-N-CA 123.042 0.537 . . . . 1.74 111.748 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.769 ' HA ' HD12 ' A' ' 33' ' ' LEU . 48.8 p90 . . . . . 0 N--CA 1.441 -0.911 0 N-CA-C 109.951 -0.389 . . . . 0.88 109.951 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.621 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 3.2 mm? -69.88 -18.51 63.41 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 112.936 0.717 . . . . 1.85 112.936 -172.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.428 ' HB2' ' NH2' ' A' ' 72' ' ' ARG . 18.5 t70 -97.84 -10.25 25.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.296 0.569 . . . . 2.24 110.665 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 30' ' ' PHE . 8.0 mp -77.93 108.55 11.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.333 -0.394 . . . . 2.26 110.621 -177.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -57.04 141.62 45.07 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 115.781 -0.645 . . . . 3.72 111.917 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.497 ' HA ' HG12 ' A' ' 38' ' ' ILE . 59.5 m-85 -62.74 -34.71 77.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.476 -0.784 . . . . 0.49 111.661 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.59 -38.23 74.52 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.267 0.556 . . . . 2.48 110.389 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -75.24 -37.81 60.86 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.462 -0.79 . . . . 2.01 111.09 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.497 HG12 ' HA ' ' A' ' 35' ' ' PHE . 37.1 pt -88.66 21.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 112.624 0.601 . . . . 1.26 112.624 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.49 32.99 85.14 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 115.848 -0.614 . . . . 0.55 114.42 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.483 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 1.1 m-85 -102.01 146.12 28.34 Favored 'General case' 0 N--CA 1.416 -2.173 0 N-CA-C 113.67 0.989 . . . . 1.7 113.67 -178.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.547 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 23.0 m-20 -107.58 160.37 15.73 Favored 'General case' 0 CA--C 1.482 -1.639 0 CA-C-N 114.332 -1.304 . . . . 1.89 109.344 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 m -66.74 -37.2 84.19 Favored 'General case' 0 C--N 1.289 -2.037 0 CA-C-N 115.692 -0.686 . . . . 0.88 111.274 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.426 HD12 ' SD ' ' A' ' 46' ' ' MET . 3.9 mm? -68.25 -28.71 67.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.657 0.741 . . . . 2.3 109.707 176.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.54 -25.19 49.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.268 -0.878 . . . . 1.17 109.699 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 84.7 mt -73.9 -36.26 64.75 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 116.049 -0.523 . . . . 1.11 110.021 176.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.47 ' HE1' ' O ' ' A' ' 62' ' ' ASP . 57.8 mtt -64.45 -41.13 96.72 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.615 -0.883 . . . . 2.29 108.615 175.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -60.06 -32.1 70.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.23 1.012 . . . . 1.92 110.408 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.518 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 85.2 m -78.48 -45.54 21.84 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.608 -0.724 . . . . 1.11 110.665 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -64.62 -46.61 81.89 Favored 'General case' 0 C--N 1.312 -1.022 0 O-C-N 122.261 -0.274 . . . . 1.07 111.026 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.69 -37.01 70.29 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.488 0.921 . . . . 1.11 113.488 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 48' ' ' THR . 3.6 ptm85 -67.87 -30.26 69.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.529 0.681 . . . . 3.14 109.974 -178.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.405 HD21 HD23 ' A' ' 5' ' ' LEU . 72.9 mt -83.79 -36.03 23.85 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.444 -0.798 . . . . 1.18 109.266 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 43.6 mt-10 -57.48 -54.34 47.97 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.363 -0.835 . . . . 0.64 109.914 176.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.6 t -61.66 -22.82 65.63 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.863 -1.062 . . . . 1.78 111.139 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -85.61 -54.37 4.59 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 120.796 -0.362 . . . . 4.47 111.678 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.446 ' CE2' HD22 ' A' ' 5' ' ' LEU . 92.1 m-85 -101.05 -12.86 18.52 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 115.003 1.483 . . . . 1.64 115.003 -171.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.87 35.7 8.94 Favored Glycine 0 C--N 1.315 -0.618 0 C-N-CA 119.998 -1.096 . . . . 0.91 113.068 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.502 ' HB ' HD22 ' A' ' 82' ' ' LEU . 3.7 p -102.29 134.42 43.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 107.665 -1.235 . . . . 1.79 107.665 176.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.7 p -102.17 109.91 21.74 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 118.539 0.609 . . . . 2.04 111.17 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.9 mt -118.52 108.26 41.76 Favored Pre-proline 0 C--N 1.305 -1.328 0 N-CA-C 110.002 -0.37 . . . . 1.6 110.002 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.486 ' HD2' HG23 ' A' ' 64' ' ' VAL . 50.9 Cg_exo -57.58 154.01 38.94 Favored 'Trans proline' 0 C--O 1.253 1.246 0 C-N-CA 122.578 2.186 . . . . 0.8 111.479 176.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.47 ' O ' ' HE1' ' A' ' 46' ' ' MET . 36.6 m-20 -59.69 -42.11 92.22 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.552 -0.749 . . . . 2.19 110.563 -175.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -55.29 -45.7 76.22 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 115.753 -0.658 . . . . 2.48 110.89 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.486 HG23 ' HD2' ' A' ' 61' ' ' PRO . 53.6 t -59.91 -58.86 5.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.222 -0.899 . . . . 1.31 109.91 -178.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -59.08 -33.77 71.2 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.442 -0.799 . . . . 1.1 112.069 -177.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.89 -7.09 88.96 Favored Glycine 0 C--N 1.316 -0.53 0 C-N-CA 120.6 -0.809 . . . . 0.97 113.663 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -106.14 -0.25 24.83 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 113.642 0.979 . . . . 4.05 113.642 -177.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 65' ' ' ALA . 27.8 m -79.33 131.92 33.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 C-N-CA 120.082 -0.647 . . . . 1.09 110.601 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -95.69 -39.6 9.8 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.459 0.647 . . . . 1.88 110.542 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.6 p -116.46 146.59 37.8 Favored Pre-proline 0 C--N 1.297 -1.683 0 CA-C-N 115.62 -0.718 . . . . 1.09 110.686 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.621 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 51.4 Cg_exo -58.21 -24.84 69.12 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.529 2.819 . . . . 0.4 112.562 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.428 ' NH2' ' HB2' ' A' ' 32' ' ' ASP . 44.4 ttm180 -56.8 -39.08 73.49 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.538 0.735 . . . . 2.67 109.778 176.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.612 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 38.3 mt-10 -70.81 -43.89 67.68 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.296 -0.865 . . . . 2.23 110.551 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.37 -43.97 92.84 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.426 -0.953 . . . . 1.81 108.426 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.25 -39.51 94.8 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.705 -0.68 . . . . 1.25 109.905 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.59 -38.42 90.95 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.424 -0.807 . . . . 0.89 110.823 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 97.6 mt -57.74 -46.08 84.97 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.192 0.597 . . . . 1.63 109.994 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.447 HG21 ' HG ' ' A' ' 5' ' ' LEU . 49.8 mm -65.45 -62.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 114.972 -1.013 . . . . 1.29 109.445 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -52.82 -47.04 67.94 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.655 -0.702 . . . . 1.45 112.161 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.62 -47.07 92.04 Favored Glycine 0 N--CA 1.446 -0.65 0 O-C-N 123.442 0.464 . . . . 0.5 113.452 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.431 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -72.03 -36.81 69.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.046 0.45 . . . . 1.17 111.597 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.502 HD22 ' HB ' ' A' ' 58' ' ' VAL . 84.4 mt -74.75 -17.58 60.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.406 -0.361 . . . . 1.26 111.043 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 121.454 0.645 . . . . 1.54 109.655 175.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 109.543 -0.539 . . . . 2.28 109.543 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 79' ' ' ASN . 22.9 mt -63.42 119.81 10.44 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.038 -1.097 . . . . 1.62 108.038 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.524 ' HG ' ' OD1' ' A' ' 79' ' ' ASN . 4.4 pp -62.9 140.23 58.8 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 123.629 0.581 . . . . 2.09 110.56 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -85.1 -174.91 5.51 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 116.132 -0.486 . . . . 1.41 110.683 -177.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -68.03 -32.26 72.5 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 108.835 -0.802 . . . . 1.31 108.835 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.95 -42.84 76.12 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.564 -0.744 . . . . 2.29 110.181 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.455 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 30.2 m-20 -63.98 -43.65 95.09 Favored 'General case' 0 CA--C 1.495 -1.16 0 CA-C-N 115.82 -0.627 . . . . 1.83 110.448 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.678 HD23 ' HB2' ' A' ' 75' ' ' LEU . 59.2 tp -62.35 -46.64 87.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.573 -0.74 . . . . 1.37 109.523 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.404 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.0 ttp180 -53.95 -56.95 13.11 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.445 -0.798 . . . . 3.48 111.669 179.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -58.93 -34.45 71.75 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.71 0.633 . . . . 3.93 112.71 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HB1' ' HD2' ' A' ' 51' ' ' ARG . . . -76.24 -34.46 59.2 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.18 0.514 . . . . 1.23 111.623 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.0 tp -79.73 -32.87 41.18 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 120.958 0.409 . . . . 1.18 109.989 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 11' ' ' ARG . 88.9 t -67.91 -29.86 46.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 109.249 -0.649 . . . . 1.34 109.249 174.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -57.32 -53.22 60.57 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.44 0.696 . . . . 2.04 110.431 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.569 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 5.1 m . . . . . 0 CA--C 1.544 0.722 0 CA-C-O 120.973 0.416 . . . . 1.74 110.262 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.8 p90 . . . . . 0 C--O 1.214 -0.807 0 N-CA-C 112.414 0.524 . . . . 0.88 112.414 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.719 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.9 mm? -78.73 -21.37 48.13 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.278 -0.569 . . . . 1.85 111.902 -173.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -102.73 -7.31 21.79 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-O 121.477 0.656 . . . . 2.24 110.902 -177.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt -75.91 133.15 40.59 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.457 -0.942 . . . . 2.26 108.457 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -75.74 150.86 37.73 Favored 'General case' 0 C--N 1.298 -1.674 0 C-N-CA 120.844 -0.343 . . . . 3.72 110.765 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.45 ' HD1' HD12 ' A' ' 38' ' ' ILE . 59.0 m-85 -65.41 -26.76 68.13 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.497 -0.32 . . . . 0.49 111.11 177.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.13 -34.61 73.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.214 0.53 . . . . 2.48 109.937 175.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.27 -41.27 66.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.084 0.469 . . . . 2.01 110.626 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.45 HD12 ' HD1' ' A' ' 35' ' ' PHE . 31.8 pt -85.16 3.41 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.32 0.581 . . . . 1.26 111.87 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.32 47.24 72.66 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.319 -0.855 . . . . 0.55 113.122 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.569 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 0.2 OUTLIER -99.3 142.47 30.75 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 110.072 -0.344 . . . . 1.7 110.072 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -95.09 162.86 13.54 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.209 -1.034 . . . . 1.89 108.209 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 46' ' ' MET . 14.0 m -70.58 -36.89 73.82 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 122.925 0.49 . . . . 0.88 110.619 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.9 -30.73 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.899 -0.778 . . . . 2.3 108.899 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.1 -37.03 83.22 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.103 -0.953 . . . . 1.17 109.761 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.99 -40.44 83.09 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 116.016 -0.538 . . . . 1.11 110.059 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.523 ' SD ' ' HB3' ' A' ' 62' ' ' ASP . 64.7 mtt -63.86 -35.37 80.4 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.441 -0.8 . . . . 2.29 110.537 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.36 -41.91 69.13 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 109.247 -0.649 . . . . 1.92 109.247 176.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.54 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 89.9 m -60.48 -47.43 86.18 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.445 -0.798 . . . . 1.11 110.547 178.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.39 85.49 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.023 0.44 . . . . 1.07 110.273 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -66.04 -37.89 87.0 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 115.805 -0.634 . . . . 1.11 112.652 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.8 ptp180 -67.3 -31.08 71.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.046 -0.661 . . . . 3.14 109.331 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.403 ' CD1' HG13 ' A' ' 78' ' ' ILE . 99.0 mt -72.64 -34.04 67.03 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.286 -0.87 . . . . 1.18 110.191 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.477 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 45.2 mt-10 -59.11 -53.76 54.72 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.972 -0.751 . . . . 0.64 108.972 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 t -65.55 -23.85 66.96 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 113.989 -1.459 . . . . 1.78 111.425 -175.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -89.73 -53.44 4.51 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.305 -0.407 . . . . 4.47 111.799 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -90.14 -16.7 29.05 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 114.027 1.121 . . . . 1.64 114.027 -171.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.24 68.9 1.21 Allowed Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.007 -1.092 . . . . 0.91 112.711 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.53 ' HB ' HD22 ' A' ' 82' ' ' LEU . 9.6 p -153.61 168.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.524 -1.287 . . . . 1.79 107.524 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.477 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 52.8 m -137.0 115.54 11.95 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-O 121.337 0.589 . . . . 2.04 109.525 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.579 HD11 HD13 ' A' ' 78' ' ' ILE . 71.9 mt -131.32 121.49 18.54 Favored Pre-proline 0 C--N 1.308 -1.205 0 CA-C-N 115.333 -0.848 . . . . 1.6 109.332 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -55.91 141.9 85.18 Favored 'Trans proline' 0 C--O 1.244 0.782 0 C-N-CA 123.239 2.626 . . . . 0.8 112.661 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.523 ' HB3' ' SD ' ' A' ' 46' ' ' MET . 4.7 m-20 -53.27 -42.88 66.98 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.013 0.925 . . . . 2.19 111.232 -178.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -61.46 -16.77 50.31 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.107 0.78 . . . . 2.48 113.107 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.4 t -78.81 -32.07 15.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.671 0.748 . . . . 1.31 109.507 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.95 -1.56 29.29 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.532 -0.758 . . . . 1.1 110.955 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.8 -7.13 81.78 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 110.886 -0.886 . . . . 0.97 110.886 176.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 48.5 mtm105 -105.24 -0.9 25.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.301 0.482 . . . . 4.05 112.301 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m -91.77 104.44 15.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 108.588 -0.893 . . . . 1.09 108.588 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -85.06 -30.18 24.31 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.334 -0.848 . . . . 1.88 111.769 -174.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.8 p -124.41 154.21 69.25 Favored Pre-proline 0 N--CA 1.433 -1.297 0 N-CA-C 109.201 -0.666 . . . . 1.09 109.201 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.63 -27.06 81.67 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 123.424 2.749 . . . . 0.4 113.528 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.719 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 35.6 ttm105 -59.41 -43.67 92.96 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 109.455 -0.572 . . . . 2.67 109.455 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.42 -40.54 85.54 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 114.48 -1.236 . . . . 2.23 109.639 -177.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.69 -43.63 96.08 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.571 -0.9 . . . . 1.81 108.571 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.678 ' HB2' HD23 ' A' ' 10' ' ' LEU . 5.0 tt -59.13 -51.13 71.36 Favored 'General case' 0 C--O 1.246 0.89 0 N-CA-C 108.495 -0.928 . . . . 1.25 108.495 178.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.6 -38.69 91.13 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.298 -1.319 . . . . 0.89 111.187 -177.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.49 -50.11 74.92 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 123.136 0.575 . . . . 1.63 111.262 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.579 HD13 HD11 ' A' ' 60' ' ' ILE . 47.8 mm -65.26 -60.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.243 -0.435 . . . . 1.29 110.527 -178.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.524 ' OD1' ' HG ' ' A' ' 5' ' ' LEU . 80.4 m-20 -63.63 -34.56 78.1 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 112.434 0.531 . . . . 1.45 112.434 -175.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.7 -41.35 98.96 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 111.273 -0.731 . . . . 0.5 111.273 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.28 -35.6 66.18 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 123.774 0.338 . . . . 1.17 110.393 178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.53 HD22 ' HB ' ' A' ' 58' ' ' VAL . 89.7 mt -58.46 -43.15 88.75 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.378 0.609 . . . . 1.26 110.914 176.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 115.677 -0.692 . . . . 1.54 111.22 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.415 -2.223 0 CA-C-O 121.866 0.841 . . . . 2.28 108.837 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.42 125.04 25.48 Favored 'General case' 0 N--CA 1.425 -1.712 0 N-CA-C 108.097 -1.075 . . . . 1.62 108.097 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -64.44 142.48 58.41 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.757 -0.656 . . . . 2.09 110.067 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.5 p -88.39 -170.86 3.12 Favored 'General case' 0 N--CA 1.411 -2.378 0 CA-C-N 116.184 -0.462 . . . . 1.41 110.002 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -71.38 -13.51 61.88 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.115 0.483 . . . . 1.31 110.953 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.91 -49.08 76.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 123.747 0.819 . . . . 2.29 110.294 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.528 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 14.2 m-20 -69.2 -38.34 78.57 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 115.679 -0.691 . . . . 1.83 110.401 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 75' ' ' LEU . 40.8 tp -60.76 -47.09 87.86 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.148 -0.686 . . . . 1.37 109.148 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -54.78 -61.71 2.13 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.531 1.132 . . . . 3.48 110.762 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.528 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 14.6 ptm180 -59.75 -35.8 75.32 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 112.172 0.434 . . . . 3.93 112.172 -176.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . . . -71.44 -40.75 70.19 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.223 0.535 . . . . 1.23 111.319 -178.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.6 tp -72.72 -39.36 67.01 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.933 -0.576 . . . . 1.18 110.499 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.1 t -63.94 -44.14 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.973 -0.751 . . . . 1.34 108.973 175.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 35.7 tt0 -62.57 -19.31 63.57 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.564 0.746 . . . . 2.04 111.93 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 121.203 0.525 . . . . 1.74 110.935 178.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.9 ' HA ' HD12 ' A' ' 33' ' ' LEU . 54.3 p90 . . . . . 0 N--CA 1.441 -0.9 0 CA-C-O 120.592 0.234 . . . . 0.88 111.142 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.528 ' O ' ' HB ' ' A' ' 70' ' ' THR . 5.6 mp -67.79 -26.56 66.15 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.208 0.818 . . . . 1.85 113.208 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -101.15 -0.93 35.18 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.644 0.735 . . . . 2.24 110.952 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 30' ' ' PHE . 9.8 mp -77.81 99.54 5.96 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.577 -0.527 . . . . 2.26 109.577 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -51.03 140.17 16.25 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.63 0.772 . . . . 3.72 111.911 -178.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.594 ' HA ' HG12 ' A' ' 38' ' ' ILE . 64.7 m-85 -64.22 -31.63 72.91 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.156 -0.475 . . . . 0.49 109.752 177.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.38 -24.82 68.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.816 -1.083 . . . . 2.48 110.226 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -88.84 -36.7 15.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.107 -0.497 . . . . 2.01 110.665 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.594 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.7 pt -86.13 4.81 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.642 0.608 . . . . 1.26 112.642 -178.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.67 25.2 54.22 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.249 -0.5 . . . . 0.55 114.116 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.43 136.41 39.41 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 122.326 -0.514 . . . . 1.7 111.138 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -89.35 145.99 24.98 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.76 -1.2 . . . . 1.89 107.76 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.402 ' HA ' HD11 ' A' ' 45' ' ' LEU . 14.7 m -63.18 -20.5 65.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.532 0.682 . . . . 0.88 111.128 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 tt -72.08 -33.45 67.91 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.497 -0.927 . . . . 2.3 108.497 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.76 -28.24 58.38 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.044 0.449 . . . . 1.17 109.979 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.437 HD13 HG21 ' A' ' 68' ' ' VAL . 80.8 mt -64.32 -30.89 71.93 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 115.407 -0.815 . . . . 1.11 110.316 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.523 ' SD ' ' HB3' ' A' ' 62' ' ' ASP . 58.9 mtt -62.95 -37.95 89.1 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.716 -1.129 . . . . 2.29 109.172 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -72.32 -35.58 68.66 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.934 -0.765 . . . . 1.92 108.934 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.554 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 22.1 m -59.51 -52.71 64.39 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.548 -0.751 . . . . 1.11 109.206 176.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.15 90.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.172 -0.467 . . . . 1.07 110.833 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.634 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -55.58 -42.85 75.33 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.237 0.615 . . . . 1.11 112.361 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 48' ' ' THR . 8.6 ptp180 -72.26 -27.96 62.82 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.102 -0.639 . . . . 3.14 110.286 -178.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.597 ' HA ' ' HB3' ' A' ' 55' ' ' ARG . 95.4 mt -75.18 -26.78 59.32 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.271 -0.422 . . . . 1.18 110.892 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.634 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 47.2 mt-10 -58.38 -50.31 74.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.64 109.929 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -77.39 -23.76 50.65 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.699 -0.682 . . . . 1.78 110.971 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.597 ' HB3' ' HA ' ' A' ' 52' ' ' LEU . 29.5 tpt180 -68.96 -42.89 76.03 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.228 0.611 . . . . 4.47 111.015 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.41 ' CD1' ' HG3' ' A' ' 55' ' ' ARG . 61.5 m-85 -117.21 3.11 12.64 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.004 1.483 . . . . 1.64 115.004 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.17 57.89 4.97 Favored Glycine 0 C--N 1.311 -0.819 0 C-N-CA 120.333 -0.937 . . . . 0.91 112.025 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.2 p -141.02 173.8 8.63 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 N-CA-C 107.973 -1.121 . . . . 1.79 107.973 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.9 m -138.38 126.22 22.42 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 123.112 0.565 . . . . 2.04 109.607 175.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.634 HD11 HD13 ' A' ' 78' ' ' ILE . 57.5 mt -134.56 120.59 14.66 Favored Pre-proline 0 C--N 1.305 -1.348 0 N-CA-C 109.294 -0.632 . . . . 1.6 109.294 -178.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.439 ' HB2' HG21 ' A' ' 64' ' ' VAL . 51.6 Cg_exo -56.46 146.05 76.38 Favored 'Trans proline' 0 C--O 1.251 1.163 0 C-N-CA 123.457 2.771 . . . . 0.8 113.228 -178.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.523 ' HB3' ' SD ' ' A' ' 46' ' ' MET . 7.6 m-20 -56.07 -44.87 79.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.89 -1.05 . . . . 2.19 110.187 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.567 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 6.2 t70 -52.94 -42.68 65.67 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.828 -0.623 . . . . 2.48 112.143 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 61' ' ' PRO . 90.4 t -62.57 -51.2 75.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 C-N-CA 123.195 0.598 . . . . 1.31 110.297 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.483 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -64.76 -30.63 71.64 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.639 -0.71 . . . . 1.1 110.983 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.03 26.2 4.42 Favored Glycine 0 C--N 1.314 -0.684 0 C-N-CA 121.361 -0.447 . . . . 0.97 113.235 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 95.8 mtt180 -128.96 -12.06 4.73 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.373 -0.487 . . . . 4.05 110.897 177.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 65' ' ' ALA . 22.1 m -75.64 120.21 25.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 113.005 0.743 . . . . 1.09 113.005 -173.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.38 -54.0 24.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.45 -1.25 . . . . 1.88 111.598 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.528 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 59.6 p -122.81 160.84 47.29 Favored Pre-proline 0 N--CA 1.436 -1.166 0 CA-C-N 115.395 -0.82 . . . . 1.09 110.305 -174.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.76 -24.77 73.09 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 123.46 2.773 . . . . 0.4 112.61 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.495 ' HA ' ' HG ' ' A' ' 31' ' ' LEU . 31.0 ttm105 -58.52 -44.82 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.844 -0.799 . . . . 2.67 108.844 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 7.7 mm-40 -68.16 -38.29 81.92 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 114.793 -1.094 . . . . 2.23 109.716 -176.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.33 -44.22 79.63 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.537 -0.912 . . . . 1.81 108.537 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.525 ' HB2' HD21 ' A' ' 10' ' ' LEU . 50.0 tp -61.55 -42.21 98.49 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.307 -0.627 . . . . 1.25 109.307 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.54 -37.35 75.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.495 -1.23 . . . . 0.89 111.164 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 87.9 mt -59.95 -50.75 72.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.099 0.476 . . . . 1.63 110.382 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.634 HD13 HD11 ' A' ' 60' ' ' ILE . 21.1 mm -66.66 -46.99 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.009 -0.737 . . . . 1.29 109.009 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -54.71 -51.3 66.0 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.935 -0.575 . . . . 1.45 111.223 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.76 -47.8 88.04 Favored Glycine 0 N--CA 1.449 -0.464 0 O-C-N 123.694 0.621 . . . . 0.5 112.694 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.81 80.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.875 0.369 . . . . 1.17 111.898 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.2 mt -79.14 -24.34 43.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.487 -0.324 . . . . 1.26 111.545 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.826 0 CA-C-O 120.87 0.367 . . . . 1.54 110.681 -179.805 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.432 -1.348 0 CA-C-O 122.159 0.98 . . . . 2.28 110.111 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 79' ' ' ASN . 81.3 mt -79.95 155.53 27.65 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.772 -0.649 . . . . 1.62 109.49 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.555 ' HG ' HG22 ' A' ' 78' ' ' ILE . 77.8 mt -76.05 144.71 40.62 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 110.019 -0.363 . . . . 2.09 110.019 -178.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 p -84.87 -177.72 6.65 Favored 'General case' 0 N--CA 1.414 -2.253 0 N-CA-C 108.342 -0.984 . . . . 1.41 108.342 170.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.467 HG23 HD22 ' A' ' 31' ' ' LEU . 26.1 m -69.76 -47.41 63.08 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.263 -1.014 . . . . 1.31 108.263 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.559 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 2.1 p-10 -68.4 -33.32 74.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.565 -0.743 . . . . 2.29 111.624 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.8 -45.54 81.98 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.757 -0.46 . . . . 1.83 109.757 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.56 HD23 ' HB2' ' A' ' 75' ' ' LEU . 61.6 tp -61.8 -44.94 95.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.309 -0.86 . . . . 1.37 109.539 177.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.9 ttm180 -53.25 -55.24 26.09 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 115.331 -0.849 . . . . 3.48 110.702 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 42.1 mtp85 -61.64 -42.31 98.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.04 -0.527 . . . . 3.93 111.255 -176.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.81 98.65 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.597 0.713 . . . . 1.23 110.67 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.579 HD13 HG23 ' A' ' 48' ' ' THR . 62.6 tp -75.28 -19.25 59.8 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.208 -0.906 . . . . 1.18 111.442 -178.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 11' ' ' ARG . 60.6 t -77.36 -54.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.609 -1.256 . . . . 1.34 107.609 172.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -56.77 -20.02 20.06 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.069 1.137 . . . . 2.04 114.069 -176.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 CA--C 1.549 0.909 0 N-CA-C 109.748 -0.464 . . . . 1.74 109.748 178.211 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.6 p90 . . . . . 0 C--O 1.213 -0.85 0 N-CA-C 113.322 0.86 . . . . 0.88 113.322 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.467 HD22 HG23 ' A' ' 7' ' ' THR . 3.2 mm? -69.46 -27.63 65.4 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 120.582 -0.447 . . . . 1.85 110.772 -176.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -96.47 9.53 41.07 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.492 -0.777 . . . . 2.24 111.367 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.8 mt -102.14 133.25 47.28 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.69 -1.226 . . . . 2.26 107.69 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -78.53 164.29 24.83 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.234 -0.654 . . . . 3.72 109.234 -177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.5 ' HA ' HG12 ' A' ' 38' ' ' ILE . 68.1 m-85 -73.7 -27.78 61.39 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.97 -1.122 . . . . 0.49 107.97 175.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.82 -22.8 67.09 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.68 -1.146 . . . . 2.48 110.357 172.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -82.02 -42.66 19.01 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 116.108 -0.496 . . . . 2.01 110.619 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.5 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.2 pt -93.79 11.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 113.926 1.084 . . . . 1.26 113.926 -174.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.48 49.98 47.1 Favored Glycine 0 C--N 1.313 -0.748 0 C-N-CA 121.336 -0.459 . . . . 0.55 113.287 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -125.75 128.37 47.63 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 120.886 0.374 . . . . 1.7 111.329 179.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.0 m-20 -87.41 165.09 15.83 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.188 -0.671 . . . . 1.89 109.188 175.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.441 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 3.4 m -66.35 -28.89 69.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.067 0.937 . . . . 0.88 109.003 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.82 ' HA ' ' HE3' ' A' ' 46' ' ' MET . 81.7 mt -58.72 -49.47 77.47 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.131 -1.395 . . . . 2.3 110.273 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.86 -26.9 66.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.577 -0.738 . . . . 1.17 111.144 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 79.8 mt -67.19 -31.42 71.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.987 0.422 . . . . 1.11 111.21 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.82 ' HE3' ' HA ' ' A' ' 43' ' ' LEU . 55.8 mtm -69.13 -30.57 68.86 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.669 -0.493 . . . . 2.29 109.669 178.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.84 -44.48 66.37 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.279 -1.008 . . . . 1.92 108.279 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.579 HG23 HD13 ' A' ' 14' ' ' LEU . 60.0 m -59.14 -41.84 89.23 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.916 -0.584 . . . . 1.11 110.647 176.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -68.08 -40.54 82.67 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.458 -0.497 . . . . 1.07 110.61 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.84 -41.82 83.12 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.174 0.59 . . . . 1.11 112.418 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -68.31 -25.72 65.27 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.047 0.451 . . . . 3.14 110.974 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -83.4 -40.37 19.44 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 116.038 -0.528 . . . . 1.18 110.053 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 44.0 mt-10 -53.42 -59.02 5.12 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.292 0.637 . . . . 0.64 110.631 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 p -64.2 -28.85 70.03 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.156 -0.929 . . . . 1.78 112.802 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -85.69 -32.37 21.98 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 112.045 0.387 . . . . 4.47 112.045 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -107.99 -5.11 17.27 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 114.422 1.268 . . . . 1.64 114.422 -174.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.33 55.18 4.08 Favored Glycine 0 C--O 1.247 0.968 0 C-N-CA 120.978 -0.63 . . . . 0.91 112.682 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.0 p -154.2 175.17 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 107.547 -1.279 . . . . 1.79 107.547 -177.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -139.88 144.64 37.31 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-N 118.898 0.772 . . . . 2.04 110.131 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.478 HD12 HD13 ' A' ' 78' ' ' ILE . 69.8 mt -127.64 122.83 22.76 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 107.75 -1.204 . . . . 1.6 107.75 178.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.548 ' HB2' HG22 ' A' ' 64' ' ' VAL . 31.2 Cg_exo -60.05 140.72 93.97 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 122.542 2.161 . . . . 0.8 112.0 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.547 ' HB2' ' SD ' ' A' ' 46' ' ' MET . 4.6 p-10 -60.77 -34.42 74.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.267 -0.424 . . . . 2.19 111.641 -177.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -67.5 -20.21 65.42 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.038 0.447 . . . . 2.48 111.343 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 61' ' ' PRO . 84.7 t -86.16 -53.33 10.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.287 0 CA-C-N 115.443 -0.799 . . . . 1.31 109.339 178.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.49 82.6 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.43 -0.804 . . . . 1.1 111.066 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.441 ' HA2' ' HB3' ' A' ' 42' ' ' SER . . . -88.28 32.76 4.29 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.905 -0.664 . . . . 0.97 111.795 177.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.426 ' HB3' ' O ' ' A' ' 64' ' ' VAL . 59.3 ttt180 -137.32 -19.48 1.25 Allowed 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.388 0.675 . . . . 4.05 110.593 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.463 HG13 HD12 ' A' ' 77' ' ' LEU . 28.5 m -68.84 131.17 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-O 121.663 0.744 . . . . 1.09 111.186 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -93.17 -38.33 11.63 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 114.725 -1.125 . . . . 1.88 111.327 -175.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.5 p -125.78 153.54 73.28 Favored Pre-proline 0 C--N 1.304 -1.411 0 CA-C-N 115.832 -0.622 . . . . 1.09 110.138 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.55 -20.42 70.64 Favored 'Trans proline' 0 C--N 1.367 1.549 0 C-N-CA 123.634 2.89 . . . . 0.4 112.268 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.5 -38.55 77.92 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.579 -0.737 . . . . 2.67 109.973 176.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.568 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.2 mt-10 -73.12 -42.06 63.31 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-N 115.216 -0.902 . . . . 2.23 110.005 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.98 -41.34 91.82 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 108.478 -0.934 . . . . 1.81 108.478 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.56 ' HB2' HD23 ' A' ' 10' ' ' LEU . 57.9 tp -64.07 -45.01 90.65 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.72 -0.673 . . . . 1.25 109.664 176.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -57.39 -41.0 79.41 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.43 -0.804 . . . . 0.89 111.901 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 65.5 mt -55.08 -42.29 72.65 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 123.695 0.622 . . . . 1.63 110.001 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.555 HG22 ' HG ' ' A' ' 5' ' ' LEU . 44.7 mm -73.39 -54.11 16.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 CA-C-N 115.443 -0.799 . . . . 1.29 109.788 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.676 ' HA ' HD21 ' A' ' 4' ' ' LEU . 14.0 m120 -52.19 -51.51 57.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.545 0.572 . . . . 1.45 112.545 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.24 -44.15 91.47 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.55 -0.357 . . . . 0.5 112.359 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.08 86.56 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.872 0.367 . . . . 1.17 111.685 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.2 mt -77.04 -14.32 59.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.004 0.372 . . . . 1.26 112.004 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.832 0.825 . . . . 1.54 108.974 174.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 N--CA 1.429 -1.477 0 CA-C-O 120.913 0.387 . . . . 2.28 110.177 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.6 mt -76.09 123.22 25.45 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 107.953 -1.128 . . . . 1.62 107.953 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.489 HD22 HD23 ' A' ' 52' ' ' LEU . 4.7 pp -79.52 152.67 30.05 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 120.992 -0.283 . . . . 2.09 111.434 -175.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p -83.77 -179.42 7.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.257 0.551 . . . . 1.41 111.583 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.7 m -81.19 -13.45 58.58 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 122.098 0.952 . . . . 1.31 108.783 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -79.48 -37.46 36.78 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 107.848 -1.167 . . . . 2.29 107.848 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.554 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 33.5 m-20 -65.52 -44.28 87.41 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.442 -0.799 . . . . 1.83 109.535 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.552 HD23 ' HB2' ' A' ' 75' ' ' LEU . 61.9 tp -54.93 -45.7 74.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.616 -0.72 . . . . 1.37 109.97 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -61.56 -59.67 4.87 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.465 -0.789 . . . . 3.48 111.184 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.554 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 16.2 ptm180 -54.49 -38.99 67.1 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.457 0.54 . . . . 3.93 112.457 -176.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.612 ' HB3' ' HD2' ' A' ' 51' ' ' ARG . . . -65.17 -51.98 57.76 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.343 0.592 . . . . 1.23 110.608 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.84 -42.73 97.53 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.792 -1.094 . . . . 1.18 110.801 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.77 -42.42 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.688 -0.687 . . . . 1.34 110.167 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.42 -35.23 65.8 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.585 -0.446 . . . . 2.04 110.617 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.621 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 74.5 m . . . . . 0 N--CA 1.447 -0.605 0 CA-C-O 120.923 0.392 . . . . 1.74 111.862 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.6 p90 . . . . . 0 C--O 1.206 -1.215 0 N-CA-C 109.246 -0.65 . . . . 0.88 109.246 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.654 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.2 mm? -72.38 -33.3 67.12 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.917 -0.583 . . . . 1.85 112.228 -173.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.472 ' HB3' HH22 ' A' ' 72' ' ' ARG . 4.1 p30 -103.27 5.4 37.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.664 0.268 . . . . 2.24 111.188 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.7 tp -73.17 108.61 6.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.124 -1.065 . . . . 2.26 108.124 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 35.0 mtm180 -69.49 131.28 44.48 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-O 120.957 0.408 . . . . 3.72 111.493 -174.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -55.0 -34.84 63.76 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.025 -0.989 . . . . 0.49 111.611 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.91 -38.69 70.57 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 123.813 0.696 . . . . 2.48 110.935 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.29 -39.71 62.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.034 -0.53 . . . . 2.01 110.985 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -88.04 21.65 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 113.294 0.85 . . . . 1.26 113.294 -176.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.08 13.15 79.49 Favored Glycine 0 C--O 1.239 0.407 0 CA-C-N 115.84 -0.618 . . . . 0.55 114.609 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -86.34 121.7 29.27 Favored 'General case' 0 N--CA 1.428 -1.525 0 CA-C-N 117.245 0.522 . . . . 1.7 111.544 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -85.95 149.21 25.36 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.518 -1.29 . . . . 1.89 107.518 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.487 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 14.4 m -60.43 -20.7 60.73 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.058 0.456 . . . . 0.88 111.912 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.13 -38.88 89.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.28 0.562 . . . . 2.3 109.634 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.32 -21.44 60.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.686 -0.688 . . . . 1.17 110.193 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 55.0 mt -73.49 -33.43 64.81 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.338 -0.616 . . . . 1.11 109.338 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 63.6 mtt -65.08 -44.29 89.37 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 107.957 -1.127 . . . . 2.29 107.957 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.621 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 12.1 tp10 -57.61 -34.5 69.34 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.001 0.92 . . . . 1.92 110.551 175.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.467 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 64.6 m -68.5 -55.86 10.33 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.902 -0.59 . . . . 1.11 109.958 177.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -61.6 -36.2 80.03 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.527 -0.306 . . . . 1.07 111.758 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -52.87 -45.49 67.47 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 123.967 0.907 . . . . 1.11 113.049 -178.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.612 ' HD2' ' HB3' ' A' ' 13' ' ' ALA . 10.0 ptp180 -69.24 -30.8 69.01 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.436 -0.506 . . . . 3.14 110.397 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.489 HD23 HD22 ' A' ' 5' ' ' LEU . 90.4 mt -75.73 -35.57 60.2 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.831 -0.622 . . . . 1.18 109.541 -178.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.532 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.4 mt-10 -57.84 -55.6 32.8 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.771 -0.825 . . . . 0.64 108.771 174.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.2 t -62.4 -34.81 77.46 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 114.965 -1.016 . . . . 1.78 112.517 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -77.34 -32.24 55.04 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.934 -0.706 . . . . 4.47 112.179 -176.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -107.47 -12.72 15.24 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.253 1.205 . . . . 1.64 114.253 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.92 65.5 1.7 Allowed Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.497 -0.859 . . . . 0.91 111.765 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 53' ' ' GLU . 8.3 p -146.24 168.71 6.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 N-CA-C 107.922 -1.14 . . . . 1.79 107.922 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 p -134.88 125.31 26.5 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 118.386 0.539 . . . . 2.04 110.054 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.829 HD13 HD12 ' A' ' 78' ' ' ILE . 54.8 mt -130.37 121.83 19.64 Favored Pre-proline 0 C--N 1.302 -1.47 0 CA-C-N 116.39 -0.368 . . . . 1.6 110.016 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.454 ' HB2' HG22 ' A' ' 64' ' ' VAL . 51.4 Cg_exo -56.23 151.64 42.65 Favored 'Trans proline' 0 C--O 1.25 1.091 0 C-N-CA 123.516 2.811 . . . . 0.8 114.007 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.81 -54.79 33.41 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 126.23 1.812 . . . . 2.19 110.341 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -60.13 -27.26 66.91 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.785 -1.098 . . . . 2.48 112.171 -175.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.547 HG11 HD12 ' A' ' 77' ' ' LEU . 85.2 t -71.78 -58.69 4.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 109.396 -0.594 . . . . 1.31 109.396 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.74 -38.42 85.08 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.756 -0.657 . . . . 1.1 110.251 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.43 42.23 3.01 Favored Glycine 0 N--CA 1.436 -1.363 0 CA-C-N 115.712 -0.677 . . . . 0.97 112.326 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -134.53 -32.53 1.02 Allowed 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 122.688 0.395 . . . . 4.05 110.847 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.6 m -62.54 134.66 27.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 112.859 0.689 . . . . 1.09 112.859 -176.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 6.6 m-20 -93.18 -33.6 13.94 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 108.391 -0.966 . . . . 1.88 108.391 179.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.531 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 38.8 p -113.9 141.88 26.91 Favored Pre-proline 0 N--CA 1.436 -1.134 0 CA-C-N 115.048 -0.978 . . . . 1.09 111.671 -175.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 70' ' ' THR . 52.9 Cg_exo -61.03 -24.17 78.97 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.593 2.862 . . . . 0.4 111.83 178.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.654 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.7 ttm180 -59.17 -39.99 84.23 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.004 -0.544 . . . . 2.67 109.57 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.589 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.4 mm-40 -77.49 -33.45 54.48 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 115.92 -0.582 . . . . 2.23 110.925 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.66 -40.79 96.05 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.512 -0.921 . . . . 1.81 108.512 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.552 ' HB2' HD23 ' A' ' 10' ' ' LEU . 46.5 tp -60.28 -45.92 91.63 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.871 0.843 . . . . 1.25 108.956 174.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.87 -36.92 85.92 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.247 -1.342 . . . . 0.89 111.835 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 87.1 mt -59.23 -52.38 65.92 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 110.265 -0.272 . . . . 1.63 110.265 177.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.829 HD12 HD13 ' A' ' 60' ' ' ILE . 41.3 mm -64.35 -63.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.333 -0.849 . . . . 1.29 110.056 -178.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.03 -34.51 73.48 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 122.946 0.498 . . . . 1.45 112.135 -175.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -39.67 90.24 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.155 -0.778 . . . . 0.5 111.155 177.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.45 -26.27 60.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.216 0.531 . . . . 1.17 110.142 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 78' ' ' ILE . 96.8 mt -70.83 -37.97 73.22 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.452 -0.573 . . . . 1.26 109.452 174.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 121.644 0.735 . . . . 1.54 110.708 176.291 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.421 -1.906 0 N-CA-C 107.579 -1.267 . . . . 2.28 107.579 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.452 ' HB2' HD21 ' A' ' 79' ' ' ASN . 4.0 pp -97.64 158.92 15.24 Favored 'General case' 0 N--CA 1.412 -2.347 0 CA-C-N 115.371 -0.831 . . . . 1.62 109.537 -179.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.677 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 4.0 pp -104.58 148.92 25.98 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 112.189 0.44 . . . . 2.09 112.189 -175.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.6 p -96.46 -170.14 2.03 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 115.43 -0.804 . . . . 1.41 110.813 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.2 m -55.52 -54.51 43.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.685 0.794 . . . . 1.31 109.887 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -62.99 -32.22 73.51 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 113.568 0.951 . . . . 2.29 113.568 -179.19 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.677 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 49.6 m-20 -69.77 -42.04 74.34 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.384 -0.526 . . . . 1.83 109.623 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.55 HD22 ' HB2' ' A' ' 75' ' ' LEU . 62.3 tp -65.23 -42.89 92.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.913 -0.773 . . . . 1.37 108.913 176.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.499 ' O ' HG21 ' A' ' 15' ' ' VAL . 56.3 ttt180 -49.64 -61.12 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.75 1.22 . . . . 3.48 111.249 176.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 17.4 ptt180 -65.11 -27.93 69.09 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.799 0.666 . . . . 3.93 112.799 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.404 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -72.99 -38.21 66.71 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.175 -0.466 . . . . 1.23 110.599 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.46 -40.07 67.29 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.959 -0.564 . . . . 1.18 109.529 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.499 HG21 ' O ' ' A' ' 11' ' ' ARG . 97.2 t -57.71 -35.2 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-O 121.44 0.638 . . . . 1.34 109.526 175.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -69.58 -35.15 75.08 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.996 -1.002 . . . . 2.04 110.531 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.444 -0.733 0 CA-C-N 116.399 -0.364 . . . . 1.74 110.949 178.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 24.5 p90 . . . . . 0 C--O 1.205 -1.254 0 CA-C-O 120.947 0.403 . . . . 0.88 110.964 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.5 mm? -77.67 -30.24 51.91 Favored 'General case' 0 C--N 1.312 -1.031 0 O-C-N 122.083 -0.385 . . . . 1.85 110.686 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.12 -5.17 56.8 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.415 -0.811 . . . . 2.24 109.403 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 30' ' ' PHE . 81.1 mt -92.26 97.99 11.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 115.452 -0.794 . . . . 2.26 109.366 -177.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -59.08 151.95 21.26 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 115.198 -0.91 . . . . 3.72 111.736 -177.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.589 ' HA ' HG12 ' A' ' 38' ' ' ILE . 84.0 m-85 -63.6 -25.67 68.34 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.264 -0.88 . . . . 0.49 111.701 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.88 -23.23 67.17 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.636 -0.711 . . . . 2.48 111.567 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -83.47 -43.91 15.3 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 109.408 -0.59 . . . . 2.01 109.408 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.589 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -82.6 17.08 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 113.502 0.927 . . . . 1.26 113.502 -175.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.65 22.37 75.2 Favored Glycine 0 C--O 1.242 0.64 0 N-CA-C 114.446 0.538 . . . . 0.55 114.446 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -88.88 143.21 27.04 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.656 0.984 . . . . 1.7 113.656 -176.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -99.56 152.21 20.29 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.538 -1.653 . . . . 1.89 106.538 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.551 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 43.2 m -67.08 -24.37 65.95 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.257 0.551 . . . . 0.88 111.263 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.7 -27.01 65.57 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.822 0.82 . . . . 2.3 109.557 176.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 47' ' ' GLU . . . -81.64 -18.49 44.43 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.125 -0.943 . . . . 1.17 109.964 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.551 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 35.6 mt -74.71 -34.97 62.7 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.809 -0.811 . . . . 1.11 108.809 177.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.481 ' HE3' ' HB2' ' A' ' 62' ' ' ASP . 60.6 mtp -63.72 -42.17 97.97 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 114.898 -1.046 . . . . 2.29 108.981 174.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 14.2 tp10 -55.22 -45.04 75.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.823 0.849 . . . . 1.92 109.789 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.6 m -64.29 -58.03 7.7 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.058 -0.974 . . . . 1.11 110.953 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' HB2' HD21 ' A' ' 74' ' ' LEU . . . -61.81 -34.18 75.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.351 0.5 . . . . 1.07 112.351 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.22 71.6 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 123.107 0.563 . . . . 1.11 112.331 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -73.87 -28.66 61.68 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.028 -0.669 . . . . 3.14 109.712 -178.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.404 HD23 ' CB ' ' A' ' 13' ' ' ALA . 75.2 mt -72.58 -40.56 66.49 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.418 -0.81 . . . . 1.18 109.509 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HA ' HG11 ' A' ' 58' ' ' VAL . 44.5 mt-10 -57.75 -49.04 77.91 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.693 -0.685 . . . . 0.64 109.569 175.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 m -62.76 -43.6 98.38 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.338 -1.301 . . . . 1.78 112.037 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -83.65 -37.83 22.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.713 0.635 . . . . 4.47 112.713 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -97.76 -10.51 24.73 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.177 0.806 . . . . 1.64 113.177 -173.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.21 58.54 2.3 Favored Glycine 0 CA--C 1.508 -0.387 0 C-N-CA 121.071 -0.585 . . . . 0.91 113.339 174.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.488 ' HB ' HD23 ' A' ' 82' ' ' LEU . 11.9 p -142.4 169.69 12.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 108.768 -0.826 . . . . 1.79 108.768 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.9 m -128.59 124.37 35.7 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.323 -0.621 . . . . 2.04 109.323 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.451 HD13 HD12 ' A' ' 78' ' ' ILE . 67.0 mt -124.77 111.71 27.39 Favored Pre-proline 0 C--N 1.306 -1.311 0 N-CA-C 109.313 -0.625 . . . . 1.6 109.313 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.572 ' HB2' HG21 ' A' ' 64' ' ' VAL . 54.6 Cg_exo -53.91 145.27 52.17 Favored 'Trans proline' 0 C--O 1.252 1.203 0 C-N-CA 122.761 2.307 . . . . 0.8 112.103 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.481 ' HB2' ' HE3' ' A' ' 46' ' ' MET . 5.8 p-10 -57.08 -37.28 71.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.452 1.101 . . . . 2.19 112.426 -175.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -69.81 -31.61 69.6 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 123.285 0.634 . . . . 2.48 111.096 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.572 HG21 ' HB2' ' A' ' 61' ' ' PRO . 58.8 t -71.12 -58.87 4.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 N-CA-C 109.031 -0.729 . . . . 1.31 109.031 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.94 70.45 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.001 -1.0 . . . . 1.1 111.078 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.51 31.44 5.48 Favored Glycine 0 N--CA 1.433 -1.521 0 C-N-CA 120.636 -0.792 . . . . 0.97 113.205 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -140.33 12.34 2.37 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 117.69 0.745 . . . . 4.05 110.598 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.486 HG23 HD22 ' A' ' 74' ' ' LEU . 19.0 m -94.97 105.59 17.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 O-C-N 121.346 -0.847 . . . . 1.09 111.103 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.49 -43.66 93.45 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.693 0.627 . . . . 1.88 112.693 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.1 p -107.19 143.74 27.75 Favored Pre-proline 0 C--N 1.306 -1.325 0 C-N-CA 120.708 -0.397 . . . . 1.09 110.23 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.432 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 54.3 Cg_exo -57.86 -26.87 76.14 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.476 2.784 . . . . 0.4 112.182 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.491 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 45.1 ttm180 -61.23 -36.7 80.66 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.817 -0.629 . . . . 2.67 110.644 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 14.1 mm-40 -65.27 -37.42 87.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.53 -0.305 . . . . 2.23 111.251 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.486 HD22 HG23 ' A' ' 68' ' ' VAL . 2.2 tm? -73.61 -40.89 63.49 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 108.194 -1.039 . . . . 1.81 108.194 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.55 ' HB2' HD22 ' A' ' 10' ' ' LEU . 58.7 tp -58.23 -55.92 28.78 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.888 0.875 . . . . 1.25 109.881 176.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.01 -34.35 77.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.659 -1.155 . . . . 0.89 111.201 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 73' ' ' GLU . 2.4 tt -55.11 -53.31 57.55 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.575 -1.268 . . . . 1.63 107.575 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.512 HG22 ' HG ' ' A' ' 5' ' ' LEU . 45.7 mm -58.29 -58.91 4.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.112 -0.949 . . . . 1.29 109.614 178.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.452 HD21 ' HB2' ' A' ' 4' ' ' LEU . 9.8 m120 -51.87 -54.99 22.81 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.082 0.864 . . . . 1.45 111.462 -176.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.34 -46.73 92.13 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.707 -0.679 . . . . 0.5 113.439 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.29 94.55 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 117.029 0.414 . . . . 1.17 111.039 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.488 HD23 ' HB ' ' A' ' 58' ' ' VAL . 95.8 mt -70.4 -41.95 72.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.629 -0.714 . . . . 1.26 111.696 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.653 0 CA-C-O 120.575 0.226 . . . . 1.54 111.375 179.652 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 CA--C 1.518 -0.251 0 N-CA-C 109.999 -0.371 . . . . 5.83 109.999 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.42 82.02 0.9 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 120.747 0.308 . . . . 1.95 110.949 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.681 HG21 ' HD1' ' A' ' 56' ' ' TYR . 9.2 t -78.85 106.81 11.12 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.687 -1.227 . . . . 2.28 107.687 175.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.588 HD21 ' HA ' ' A' ' 79' ' ' ASN . 78.8 mt -91.16 127.75 36.71 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.734 -0.604 . . . . 1.62 111.021 -174.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.47 HD21 HG21 ' A' ' 78' ' ' ILE . 2.2 pt? -68.97 141.64 54.88 Favored 'General case' 0 C--O 1.251 1.148 0 N-CA-C 108.448 -0.945 . . . . 2.09 108.448 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.1 p -96.82 -170.48 2.06 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 116.066 -0.515 . . . . 1.41 110.978 -176.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.2 m -57.65 -53.92 52.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.856 -0.794 . . . . 1.31 108.856 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.76 -41.52 74.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.957 -1.02 . . . . 2.29 112.627 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -64.57 -47.87 77.11 Favored 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 123.573 0.546 . . . . 1.83 110.368 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 75' ' ' LEU . 41.4 tp -61.89 -45.0 95.64 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.234 -0.654 . . . . 1.37 109.234 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.66 ' HG3' ' HB2' ' A' ' 26' ' ' LEU . 26.5 ttp85 -52.37 -59.93 3.83 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.752 0.821 . . . . 3.48 111.392 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -60.27 -43.05 96.52 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.98 -0.555 . . . . 3.93 112.0 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.85 86.96 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.182 -0.463 . . . . 1.23 110.935 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD23 HD13 ' A' ' 26' ' ' LEU . 37.5 tp -67.66 -30.82 70.46 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.473 -0.33 . . . . 1.18 111.757 -176.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t -72.78 -37.64 55.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.084 -0.71 . . . . 1.34 109.084 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.53 -35.66 76.53 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.295 -0.866 . . . . 2.04 111.463 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.516 ' HG ' ' HH ' ' A' ' 40' ' ' TYR . 2.7 p -79.68 -3.41 47.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.23 0.826 . . . . 1.74 113.23 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.56 -11.59 55.75 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.006 -0.739 . . . . 1.93 109.006 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.63 -103.43 2.04 Favored Glycine 0 N--CA 1.417 -2.591 0 N-CA-C 109.688 -1.365 . . . . 2.29 109.688 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -80.79 154.32 27.25 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.783 -0.451 . . . . 5.38 109.783 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -78.17 83.38 4.44 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 121.626 0.727 . . . . 6.52 109.543 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.82 -56.84 5.02 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 107.803 -1.184 . . . . 5.17 107.803 173.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.37 58.98 0.52 Allowed Glycine 0 N--CA 1.419 -2.443 0 CA-C-N 115.093 -0.958 . . . . 3.3 112.161 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.581 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 25.2 m -72.76 106.14 4.61 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 104.42 -2.437 . . . . 3.12 104.42 170.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -59.44 110.25 1.06 Allowed 'General case' 0 CA--C 1.507 -0.709 0 CA-C-O 122.704 1.24 . . . . 2.9 112.405 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.66 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 44.8 mt -124.78 49.76 1.81 Allowed 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 113.679 -1.601 . . . . 2.03 107.667 -177.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.0 m -116.31 155.87 27.65 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.953 -0.567 . . . . 2.14 110.025 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 -126.14 7.38 Favored Glycine 0 N--CA 1.433 -1.538 0 N-CA-C 109.816 -1.314 . . . . 1.95 109.816 -178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -114.33 85.66 2.27 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.101 -1.074 . . . . 2.57 108.101 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -99.94 10.23 41.63 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 114.962 -1.017 . . . . 0.88 109.506 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.881 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 2.8 mm? -72.96 -11.86 60.73 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.462 -0.79 . . . . 1.85 112.161 -173.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -94.47 0.4 55.33 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 120.908 0.385 . . . . 2.24 110.575 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -78.73 169.96 17.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.864 -1.162 . . . . 2.26 107.864 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD2' ' OD2' ' A' ' 69' ' ' ASP . 31.7 mtm180 -124.88 147.6 48.72 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.082 -1.047 . . . . 3.72 111.335 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.484 ' CZ ' ' HA ' ' A' ' 71' ' ' PRO . 44.2 m-85 -65.58 -35.95 82.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.937 -0.574 . . . . 0.49 111.273 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.7 -36.76 84.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.963 0.887 . . . . 2.48 109.088 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.62 -37.44 65.39 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.151 -0.931 . . . . 2.01 110.56 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.48 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.1 pt -88.18 14.51 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 111.879 0.326 . . . . 1.26 111.879 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.88 44.15 96.52 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 116.011 -0.54 . . . . 0.55 114.32 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.516 ' HH ' ' HG ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -103.77 136.94 42.52 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.527 0.679 . . . . 1.7 111.345 179.139 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.753 ' HA ' H303 ' A' ' 87' ' ' PNS . 12.6 m-20 -82.52 146.54 29.17 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 114.812 -1.085 . . . . 1.89 108.234 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 64.4 m -67.86 -28.53 67.62 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.278 0.561 . . . . 0.88 110.428 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.0 mt -60.88 -38.55 86.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.367 -0.833 . . . . 2.3 108.784 172.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.18 -28.65 62.33 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.011 -0.995 . . . . 1.17 110.329 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.465 HD12 HG21 ' A' ' 68' ' ' VAL . 74.9 mt -70.0 -40.07 75.51 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.318 -0.623 . . . . 1.11 109.318 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 84.2 mtp -61.63 -43.4 98.93 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.421 -0.809 . . . . 2.29 109.19 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.56 -44.08 97.69 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.716 -0.674 . . . . 1.92 110.503 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.423 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 94.6 m -58.06 -52.34 65.93 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 115.537 -0.756 . . . . 1.11 109.505 175.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.43 -43.74 96.47 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.84 -0.618 . . . . 1.07 111.394 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.616 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -53.83 -37.78 63.95 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.756 0.822 . . . . 1.11 112.179 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.469 HH12 ' HB3' ' A' ' 17' ' ' SER . 29.7 ttp180 -68.06 -40.35 82.8 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.763 0.792 . . . . 3.14 110.523 178.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.2 mt -77.14 -28.6 54.3 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.385 -0.825 . . . . 1.18 110.915 -176.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.616 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 52.7 mt-10 -56.13 -59.21 5.25 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 123.51 0.506 . . . . 0.64 110.693 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.1 t -66.62 -34.57 78.18 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.038 -0.983 . . . . 1.78 110.534 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HA ' ' HE ' ' A' ' 55' ' ' ARG . 5.0 tpm_? -70.78 -45.52 64.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.57 0.581 . . . . 4.47 112.57 -178.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.681 ' HD1' HG21 ' A' ' 3' ' ' THR . 92.8 m-85 -104.28 -13.86 16.01 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 114.743 1.386 . . . . 1.64 114.743 -173.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.47 49.15 2.84 Favored Glycine 0 C--N 1.302 -1.326 0 C-N-CA 119.667 -1.254 . . . . 0.91 112.721 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 31.1 m -131.74 170.99 18.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 N-CA-C 108.957 -0.757 . . . . 1.79 108.957 177.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.2 p -143.11 119.86 11.18 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 108.654 -0.869 . . . . 2.04 108.654 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.497 HD13 ' HB1' ' A' ' 49' ' ' ALA . 71.8 mt -112.07 114.34 51.34 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.676 -0.49 . . . . 1.6 109.676 -176.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.532 ' HB2' HG23 ' A' ' 64' ' ' VAL . 52.3 Cg_exo -53.64 144.72 51.74 Favored 'Trans proline' 0 C--O 1.246 0.92 0 C-N-CA 122.598 2.199 . . . . 0.8 111.739 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -43.54 -53.68 5.41 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.936 1.294 . . . . 2.19 113.274 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.94 -28.04 66.28 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 113.286 0.847 . . . . 2.48 113.286 -174.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.532 HG23 ' HB2' ' A' ' 61' ' ' PRO . 61.9 t -63.13 -47.92 90.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 120.978 0.418 . . . . 1.31 110.66 -177.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 -16.03 63.99 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.933 -0.576 . . . . 1.1 111.933 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.16 -7.73 76.48 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.52 -0.848 . . . . 0.97 111.063 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -102.32 11.85 37.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.891 0.7 . . . . 4.05 112.891 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.654 HG23 HD23 ' A' ' 74' ' ' LEU . 29.9 m -101.45 112.36 34.21 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.539 0.685 . . . . 1.09 110.773 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.421 ' OD2' ' HD2' ' A' ' 34' ' ' ARG . 20.8 t70 -88.63 -39.28 14.18 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.71 -0.677 . . . . 1.88 110.862 -176.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.8 p -111.59 152.9 44.35 Favored Pre-proline 0 C--N 1.303 -1.441 0 CA-C-N 116.002 -0.544 . . . . 1.09 110.356 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.484 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 32.2 Cg_exo -60.28 -26.06 81.69 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 123.164 2.576 . . . . 0.4 112.471 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.881 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 7.8 ptp180 -62.03 -37.51 85.18 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.448 -0.342 . . . . 2.67 110.568 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.525 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 44.2 mt-10 -69.87 -43.61 71.5 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 123.293 0.371 . . . . 2.23 110.399 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.654 HD23 HG23 ' A' ' 68' ' ' VAL . 2.9 tm? -64.12 -39.69 94.57 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.38 -0.6 . . . . 1.81 109.38 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.615 ' HB2' HD21 ' A' ' 10' ' ' LEU . 46.1 tp -66.16 -43.85 85.76 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-O 121.44 0.638 . . . . 1.25 109.369 177.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.84 -27.1 67.99 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 114.783 -1.099 . . . . 0.89 110.952 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 78.7 mt -61.71 -51.12 69.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.15 -0.315 . . . . 1.63 110.15 176.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.49 HD12 HD11 ' A' ' 60' ' ' ILE . 32.7 mm -67.43 -58.08 7.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.202 -0.666 . . . . 1.29 109.202 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.588 ' HA ' HD21 ' A' ' 4' ' ' LEU . 16.3 m120 -53.2 -49.37 66.88 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.205 -0.907 . . . . 1.45 110.878 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.28 -44.62 95.26 Favored Glycine 0 N--CA 1.434 -1.478 0 CA-C-N 115.22 -0.9 . . . . 0.5 113.013 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.35 98.47 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.943 0.372 . . . . 1.17 111.159 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 56' ' ' TYR . 83.6 mt -64.76 -39.31 93.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 1.26 111.79 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.29 -32.6 66.74 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.174 0.512 . . . . 1.54 110.705 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.6 -59.02 2.93 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.454 -0.794 . . . . 2.7 110.839 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -149.68 103.93 3.29 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-O 121.445 0.64 . . . . 2.73 110.886 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.283 -2.321 0 N-CA-C 107.428 -1.323 . . . . 5.02 107.428 176.381 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . 0.753 H303 ' HA ' ' A' ' 41' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtm . . . . . 0 CA--C 1.508 -0.639 0 N-CA-C 109.572 -0.529 . . . . 5.83 109.572 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.56 153.16 21.62 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 107.771 -1.196 . . . . 1.95 107.771 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.0 p -71.94 106.82 4.39 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 123.163 0.29 . . . . 2.28 110.406 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.696 HD22 ' HA ' ' A' ' 79' ' ' ASN . 84.2 mt -98.75 168.05 10.39 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.363 -0.606 . . . . 1.62 109.363 178.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.598 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? -129.03 154.13 46.93 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.84 -0.344 . . . . 2.09 110.277 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -101.05 -170.46 1.84 Allowed 'General case' 0 C--N 1.3 -1.571 0 O-C-N 123.596 0.56 . . . . 1.41 109.967 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 54.9 m -67.34 -38.75 85.37 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 122.682 0.393 . . . . 1.31 110.6 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.552 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 25.8 t70 -67.88 -30.33 69.66 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.084 0.469 . . . . 2.29 110.722 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.598 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 14.3 m-20 -68.69 -48.69 63.26 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.041 -0.726 . . . . 1.83 109.041 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.718 HD23 ' HB2' ' A' ' 75' ' ' LEU . 54.8 tp -60.01 -38.7 83.43 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.722 -0.672 . . . . 1.37 109.606 177.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.561 ' HG3' ' HB3' ' A' ' 26' ' ' LEU . 63.8 ttt180 -51.47 -60.36 3.23 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.428 1.091 . . . . 3.48 110.377 176.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 41.0 mtt180 -64.92 -33.62 76.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.02 0.438 . . . . 3.93 110.679 -176.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.4 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -67.71 -37.04 81.72 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.793 -0.639 . . . . 1.23 111.503 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.638 HD22 HD21 ' A' ' 26' ' ' LEU . 30.9 tp -80.78 -33.55 34.84 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.029 0.443 . . . . 1.18 110.04 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 t -53.93 -41.4 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.996 0.918 . . . . 1.34 110.894 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -56.74 -27.66 59.7 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 113.747 1.018 . . . . 2.04 113.747 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.3 p -91.04 -2.89 57.59 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.655 -0.653 . . . . 1.74 112.669 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -102.03 -47.53 4.53 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.119 -1.067 . . . . 1.93 108.119 175.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.63 159.28 10.57 Favored Glycine 0 N--CA 1.425 -2.04 0 N-CA-C 109.872 -1.291 . . . . 2.29 109.872 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.61 119.25 10.78 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 117.439 0.619 . . . . 5.38 109.432 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 m 71.84 20.54 4.49 Favored 'General case' 0 CA--C 1.563 1.458 0 C-N-CA 124.395 1.078 . . . . 6.52 110.687 -176.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -127.11 133.9 50.32 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 121.382 -0.824 . . . . 5.17 111.219 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.69 140.35 7.36 Favored Glycine 0 N--CA 1.4 -3.719 0 N-CA-C 108.318 -1.913 . . . . 3.3 108.318 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 m -78.09 71.14 4.55 Favored 'General case' 0 C--N 1.272 -2.77 0 CA-C-O 121.621 0.724 . . . . 3.12 110.847 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 t70 67.28 67.01 0.4 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.945 2.098 . . . . 2.9 111.789 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.638 HD21 HD22 ' A' ' 14' ' ' LEU . 9.2 mp -115.62 80.21 1.41 Allowed 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.163 -1.381 . . . . 2.03 107.3 176.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.6 m -136.29 112.07 9.47 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 115.448 -0.796 . . . . 2.14 109.435 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.88 -82.28 1.67 Allowed Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.383 -0.687 . . . . 1.95 111.383 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -144.34 146.76 32.75 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.732 -1.21 . . . . 2.57 107.732 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 30.4 p90 -145.8 14.59 1.37 Allowed 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.023 0.439 . . . . 0.88 110.147 -178.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.548 ' HG ' ' HA ' ' A' ' 72' ' ' ARG . 8.4 mp -70.38 -21.39 62.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.091 0.556 . . . . 1.85 112.406 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.48 -2.13 57.32 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.802 0.689 . . . . 2.24 110.979 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.0 mt -91.1 175.19 7.04 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.416 -0.957 . . . . 2.26 108.416 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -116.99 144.31 44.73 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 109.235 -0.654 . . . . 3.72 109.235 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 71' ' ' PRO . 54.6 m-85 -65.32 -33.36 75.79 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.315 -0.402 . . . . 0.49 110.667 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.97 -39.24 81.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.982 0.801 . . . . 2.48 110.883 -179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -73.65 -38.73 64.89 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 116.462 -0.335 . . . . 2.01 110.971 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.9 pt -85.07 20.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 113.347 0.869 . . . . 1.26 113.347 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.36 7.81 87.75 Favored Glycine 0 C--N 1.316 -0.58 0 N-CA-C 114.413 0.525 . . . . 0.55 114.413 174.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -96.09 156.46 16.33 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-N 117.316 0.558 . . . . 1.7 110.662 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.561 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -141.42 171.92 13.4 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.25 -0.648 . . . . 1.89 109.25 177.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -42.29 -48.36 4.98 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 127.136 2.174 . . . . 0.88 113.299 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.15 -35.7 74.22 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.291 0.567 . . . . 2.3 111.661 -175.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.12 -28.39 65.34 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.796 0.808 . . . . 1.17 109.566 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 82.0 mt -78.3 -38.31 42.72 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.343 -0.844 . . . . 1.11 110.702 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.496 ' HE3' ' HB3' ' A' ' 62' ' ' ASP . 74.5 mtp -58.21 -43.61 87.74 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 123.624 0.578 . . . . 2.29 109.566 175.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -57.77 -51.59 68.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.19 -0.914 . . . . 1.92 109.872 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.9 m -55.92 -50.36 70.91 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.839 -1.073 . . . . 1.11 110.507 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.64 -43.19 99.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.533 -0.303 . . . . 1.07 111.189 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.471 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -59.17 -43.11 92.12 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.452 0.538 . . . . 1.11 112.452 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.2 ptt-85 -69.53 -24.66 63.76 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.863 -0.735 . . . . 3.14 111.053 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.4 HD23 ' CB ' ' A' ' 13' ' ' ALA . 90.4 mt -77.86 -34.77 51.55 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.069 -0.514 . . . . 1.18 109.744 176.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.608 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.7 mt-10 -57.78 -49.71 75.7 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.084 -0.71 . . . . 0.64 109.084 174.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -64.25 -27.51 69.1 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.251 -0.886 . . . . 1.78 112.195 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.637 HH21 ' HH ' ' A' ' 56' ' ' TYR . 50.8 ttp180 -89.72 -43.98 10.32 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.206 -0.598 . . . . 4.47 111.943 -175.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.637 ' HH ' HH21 ' A' ' 55' ' ' ARG . 93.8 m-85 -94.24 -21.17 19.21 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 113.553 0.946 . . . . 1.64 113.553 -174.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.98 65.6 1.59 Allowed Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.038 -1.077 . . . . 0.91 110.492 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 53' ' ' GLU . 14.8 p -139.64 168.7 17.75 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 107.84 -1.17 . . . . 1.79 107.84 -177.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -133.26 119.89 20.38 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 118.471 0.578 . . . . 2.04 109.722 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.528 HD11 HD11 ' A' ' 78' ' ' ILE . 66.7 mt -128.0 115.91 20.47 Favored Pre-proline 0 C--N 1.31 -1.121 0 N-CA-C 109.575 -0.528 . . . . 1.6 109.575 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HB2' HG21 ' A' ' 64' ' ' VAL . 31.9 Cg_exo -59.42 153.6 53.1 Favored 'Trans proline' 0 C--O 1.253 1.242 0 C-N-CA 122.795 2.33 . . . . 0.8 112.335 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.496 ' HB3' ' HE3' ' A' ' 46' ' ' MET . 12.0 m-20 -59.0 -47.89 83.56 Favored 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 124.009 0.923 . . . . 2.19 110.518 -176.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.29 -21.51 64.01 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 114.762 -1.108 . . . . 2.48 111.912 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.472 HG21 ' HB2' ' A' ' 61' ' ' PRO . 57.7 t -85.72 -57.87 3.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 109.486 -0.561 . . . . 1.31 109.486 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.71 -36.11 71.55 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.662 -0.699 . . . . 1.1 111.294 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.97 39.71 2.83 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 120.836 -0.697 . . . . 0.97 111.951 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -143.22 2.55 1.3 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.872 0.844 . . . . 4.05 109.776 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.419 HG21 HD13 ' A' ' 45' ' ' LEU . 27.3 m -91.93 121.07 42.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.75 -0.594 . . . . 1.09 109.908 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -95.76 -29.79 14.06 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.531 0.682 . . . . 1.88 110.211 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 56.3 p -111.09 141.12 23.61 Favored Pre-proline 0 N--CA 1.432 -1.335 0 CA-C-N 115.726 -0.67 . . . . 1.09 110.157 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.532 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -58.86 -24.17 70.96 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.476 2.784 . . . . 0.4 112.611 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.548 ' HA ' ' HG ' ' A' ' 31' ' ' LEU . 44.2 ttm180 -57.71 -44.35 85.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.718 -0.673 . . . . 2.67 109.559 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 39.0 mt-10 -64.48 -46.76 81.63 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.459 -0.791 . . . . 2.23 110.734 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.34 -44.25 95.71 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.202 -0.666 . . . . 1.81 109.202 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.718 ' HB2' HD23 ' A' ' 10' ' ' LEU . 55.9 tp -63.58 -46.42 85.95 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.605 -0.725 . . . . 1.25 109.85 178.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.55 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.768 -1.106 . . . . 0.89 111.926 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 84.7 mt -58.3 -51.94 67.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.664 0.268 . . . . 1.63 110.367 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.528 HD11 HD11 ' A' ' 60' ' ' ILE . 31.3 mm -63.61 -56.67 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 108.808 -0.812 . . . . 1.29 108.808 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.696 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.6 m120 -51.16 -54.39 25.8 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.244 -0.889 . . . . 1.45 111.693 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.08 -53.79 42.04 Favored Glycine 0 N--CA 1.436 -1.352 0 CA-C-N 115.711 -0.677 . . . . 0.5 113.121 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.87 81.3 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 112.061 0.393 . . . . 1.17 112.061 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.3 mt -76.05 -33.06 59.59 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 112.088 0.403 . . . . 1.26 112.088 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.75 -23.3 45.46 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.599 0.238 . . . . 1.54 111.639 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -90.78 -19.53 23.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.857 0.36 . . . . 2.7 110.258 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.37 77.54 7.13 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.381 0.61 . . . . 2.73 110.441 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.843 0 N-CA-C 107.559 -1.274 . . . . 5.02 107.559 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 CA--C 1.51 -0.573 0 N-CA-C 108.831 -0.803 . . . . 5.83 108.831 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.58 145.67 36.0 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.958 -0.565 . . . . 1.95 109.829 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -79.27 107.89 12.37 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.681 0.753 . . . . 2.28 109.168 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.7 HD23 ' HA ' ' A' ' 79' ' ' ASN . 83.8 mt -78.36 167.5 21.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.375 0.607 . . . . 1.62 112.158 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.422 HD21 ' HB3' ' A' ' 9' ' ' ASP . 76.1 mt -84.8 141.29 30.6 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-N 115.518 -0.764 . . . . 2.09 109.969 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.7 p -94.2 -170.47 2.3 Favored 'General case' 0 N--CA 1.415 -2.187 0 N-CA-C 107.056 -1.461 . . . . 1.41 107.056 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.494 HG23 HD22 ' A' ' 31' ' ' LEU . 43.3 m -68.76 -45.55 71.11 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 118.058 0.39 . . . . 1.31 110.226 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.555 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 34.8 t70 -68.66 -23.92 64.47 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 111.888 0.329 . . . . 2.29 111.888 -178.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.422 ' HB3' HD21 ' A' ' 5' ' ' LEU . 3.0 m-20 -59.52 -51.69 68.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.288 0.566 . . . . 1.83 110.358 175.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD22 ' HE1' ' A' ' 30' ' ' PHE . 4.4 tt -65.44 -41.36 93.55 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 107.612 -1.255 . . . . 1.37 107.612 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.534 ' HD3' ' OD1' ' A' ' 8' ' ' ASP . 54.5 ttt180 -53.55 -53.81 46.26 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.607 -0.724 . . . . 3.48 111.587 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 91.9 mtt180 -58.84 -44.36 90.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.924 0.392 . . . . 3.93 110.902 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.26 62.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.014 -0.539 . . . . 1.23 111.978 -176.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.418 HD21 HD23 ' A' ' 26' ' ' LEU . 25.6 tp -83.02 -24.88 32.65 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.04 0.448 . . . . 1.18 110.276 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 11' ' ' ARG . 98.7 t -72.77 -17.7 18.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 121.712 0.767 . . . . 1.34 110.336 176.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -71.77 -28.86 63.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.618 -0.719 . . . . 2.04 111.947 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 p -88.05 -8.99 54.73 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.255 0.55 . . . . 1.74 111.612 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.29 -42.98 7.53 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.405 0.622 . . . . 1.93 109.323 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.83 -110.46 3.81 Favored Glycine 0 N--CA 1.427 -1.921 0 CA-C-N 115.585 -0.734 . . . . 2.29 112.865 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -103.03 -175.79 2.9 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 112.014 0.376 . . . . 5.38 112.014 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.438 ' C ' ' H ' ' A' ' 23' ' ' GLY . 7.3 m 63.33 61.09 1.08 Allowed 'General case' 0 C--O 1.248 0.985 0 C-N-CA 124.948 1.299 . . . . 6.52 108.963 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.2 t70 72.58 -36.4 0.36 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 126.643 1.977 . . . . 5.17 111.802 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 21' ' ' THR . . . 107.73 -83.8 0.35 Allowed Glycine 0 N--CA 1.406 -3.327 0 N-CA-C 109.412 -1.475 . . . . 3.3 109.412 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.3 m -157.88 136.26 11.07 Favored 'General case' 0 C--N 1.284 -2.256 0 N-CA-C 106.269 -1.752 . . . . 3.12 106.269 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.7 103.18 0.66 Allowed 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 106.684 -1.598 . . . . 2.9 106.684 172.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.418 HD23 HD21 ' A' ' 14' ' ' LEU . 7.6 tp -140.93 39.35 1.8 Allowed 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.614 -0.721 . . . . 2.03 109.247 -167.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.5 m -101.29 149.37 24.09 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.482 -0.781 . . . . 2.14 110.651 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.04 -140.25 21.31 Favored Glycine 0 C--O 1.239 0.442 0 N-CA-C 110.949 -0.86 . . . . 1.95 110.949 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -98.91 105.43 17.57 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 107.487 -1.301 . . . . 2.57 107.487 176.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.461 ' HE1' HD22 ' A' ' 10' ' ' LEU . 52.7 p90 -106.94 12.05 29.2 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 116.265 -0.425 . . . . 0.88 110.071 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.623 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 2.5 mm? -75.63 -27.69 58.51 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.657 -0.417 . . . . 1.85 111.849 -172.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -100.03 3.41 44.13 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 120.021 -0.672 . . . . 2.24 109.984 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -85.59 114.62 22.74 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 107.331 -1.359 . . . . 2.26 107.331 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -65.57 149.29 50.31 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.263 -0.426 . . . . 3.72 111.607 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 69.2 m-85 -67.04 -28.0 67.86 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.221 -0.445 . . . . 0.49 110.897 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.25 -37.64 64.88 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 124.422 1.089 . . . . 2.48 110.163 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.24 -39.49 68.43 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.817 -0.629 . . . . 2.01 110.081 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.402 HD13 ' HD1' ' A' ' 35' ' ' PHE . 29.2 pt -93.46 18.44 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.637 0.606 . . . . 1.26 112.637 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.6 40.17 96.03 Favored Glycine 0 C--O 1.225 -0.432 0 CA-C-N 115.42 -0.809 . . . . 0.55 113.909 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -101.93 169.45 8.76 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-N 117.192 0.496 . . . . 1.7 112.312 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.613 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.8 p-10 -139.77 171.99 13.43 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.645 -0.707 . . . . 1.89 109.578 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -65.51 -40.65 93.26 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 124.083 0.953 . . . . 0.88 111.771 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.01 -33.7 72.36 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 120.955 0.407 . . . . 2.3 110.639 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.79 -31.9 72.1 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.451 0.643 . . . . 1.17 110.18 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 69.3 mt -74.02 -42.53 60.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.75 -0.659 . . . . 1.11 109.639 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.794 ' HE1' ' HB3' ' A' ' 62' ' ' ASP . 73.4 mtp -58.17 -45.73 86.95 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.16 -0.927 . . . . 2.29 109.966 177.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -57.1 -50.07 73.94 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.83 -0.623 . . . . 1.92 109.619 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.5 m -56.34 -52.32 64.99 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 123.924 0.89 . . . . 1.11 111.35 178.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -59.36 -45.58 91.01 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.037 0.21 . . . . 1.07 111.113 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.561 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -62.17 -32.78 73.44 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.345 0.593 . . . . 1.11 111.656 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -70.09 -34.54 73.28 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 124.346 1.058 . . . . 3.14 110.694 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.51 -36.41 63.21 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.002 -0.545 . . . . 1.18 110.701 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.561 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 45.4 mt-10 -51.13 -56.78 10.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.466 0.706 . . . . 0.64 112.003 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -58.18 -29.11 65.38 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.19 0.811 . . . . 1.78 113.19 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -87.98 -35.9 17.36 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 120.462 -0.495 . . . . 4.47 111.91 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -102.82 -18.13 15.25 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 115.71 1.745 . . . . 1.64 115.71 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.99 60.91 1.98 Allowed Glycine 0 C--N 1.309 -0.968 0 C-N-CA 119.768 -1.206 . . . . 0.91 111.03 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.443 ' HB ' HD23 ' A' ' 82' ' ' LEU . 7.1 p -143.18 150.09 17.94 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.892 0 N-CA-C 106.792 -1.558 . . . . 1.79 106.792 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.536 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 50.3 m -129.98 115.55 17.31 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 118.131 0.423 . . . . 2.04 110.154 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 70.8 mt -120.6 127.54 26.23 Favored Pre-proline 0 C--N 1.306 -1.316 0 CA-C-N 116.165 -0.471 . . . . 1.6 109.914 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HB2' HG23 ' A' ' 64' ' ' VAL . 34.3 Cg_exo -59.6 140.95 96.23 Favored 'Trans proline' 0 C--O 1.245 0.861 0 C-N-CA 122.525 2.15 . . . . 0.8 111.322 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.794 ' HB3' ' HE1' ' A' ' 46' ' ' MET . 7.8 m-20 -55.3 -41.51 72.44 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.483 1.113 . . . . 2.19 111.857 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.5 -34.91 69.56 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.729 -0.669 . . . . 2.48 111.674 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 61' ' ' PRO . 49.1 t -67.23 -52.34 43.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 123.321 0.648 . . . . 1.31 110.281 -177.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.15 69.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.626 -0.715 . . . . 1.1 111.246 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.33 3.7 83.84 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.791 -0.719 . . . . 0.97 113.268 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -109.02 -3.41 17.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.81 0.671 . . . . 4.05 112.81 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.485 HG21 HD11 ' A' ' 45' ' ' LEU . 27.2 m -85.43 125.52 40.46 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 C-N-CA 119.769 -0.772 . . . . 1.09 111.752 -177.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -93.54 -27.54 16.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.58 0.705 . . . . 1.88 110.018 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.2 p -127.72 147.08 61.22 Favored Pre-proline 0 C--N 1.31 -1.142 0 CA-C-N 115.582 -0.736 . . . . 1.09 110.915 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.623 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 46.0 Cg_exo -59.39 -21.25 60.18 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 123.475 2.783 . . . . 0.4 112.479 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 31' ' ' LEU . 23.2 tpp180 -55.11 -43.05 73.72 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 123.938 0.895 . . . . 2.67 108.669 175.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.571 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 29.5 mt-10 -73.38 -45.08 56.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.879 -1.055 . . . . 2.23 109.921 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.06 -45.99 86.14 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.484 0.714 . . . . 1.81 109.4 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.37 -46.11 90.14 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 115.504 -0.771 . . . . 1.25 110.061 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.52 -38.03 88.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.145 -0.934 . . . . 0.89 111.891 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 91.0 mt -53.61 -47.64 70.04 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.173 0.511 . . . . 1.63 110.33 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.419 HG21 ' HG ' ' A' ' 5' ' ' LEU . 43.9 mm -67.48 -55.49 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.934 -1.03 . . . . 1.29 109.224 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.7 ' HA ' HD23 ' A' ' 4' ' ' LEU . 15.1 m120 -49.67 -55.32 14.18 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.678 0.791 . . . . 1.45 111.508 -178.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.91 -48.95 83.56 Favored Glycine 0 N--CA 1.437 -1.27 0 O-C-N 124.062 0.851 . . . . 0.5 112.741 -177.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.02 81.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.704 0.252 . . . . 1.17 111.658 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.443 HD23 ' HB ' ' A' ' 58' ' ' VAL . 70.8 mt -64.96 -45.92 83.69 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 112.196 0.443 . . . . 1.26 112.196 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.59 -18.36 63.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.785 0.326 . . . . 1.54 111.582 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -91.05 -58.44 2.47 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.225 0.536 . . . . 2.7 109.995 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.25 -33.45 37.92 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 113.407 0.892 . . . . 2.73 113.407 -172.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.382 0 C-N-CA 120.065 -0.654 . . . . 5.02 110.338 -176.133 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 120.624 0.249 . . . . 5.83 110.561 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' A' ' 82' ' ' LEU . . . -139.03 102.86 4.64 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-O 121.153 0.501 . . . . 1.95 111.567 -175.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p -108.55 106.6 16.75 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.59 -1.263 . . . . 2.28 107.59 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.52 ' HA ' ' CD1' ' A' ' 82' ' ' LEU 0.293 2.4 pp -64.8 137.57 57.86 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 114.519 1.303 . . . . 1.62 114.519 -177.456 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.57 153.36 43.59 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.438 -1.256 . . . . 2.09 112.092 -175.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.1 p -91.11 -177.88 5.02 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 116.454 -0.339 . . . . 1.41 111.303 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 m -67.27 -38.67 85.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.819 -1.178 . . . . 1.31 107.819 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.498 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 35.9 t70 -66.21 -40.9 90.68 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.851 -1.068 . . . . 2.29 110.928 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -61.84 -40.79 96.54 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.753 0.311 . . . . 1.83 110.183 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.611 HD23 ' HB2' ' A' ' 75' ' ' LEU . 59.1 tp -59.02 -46.11 89.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.124 -0.943 . . . . 1.37 109.135 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.618 ' HG3' ' HB3' ' A' ' 26' ' ' LEU . 18.7 ttp180 -55.9 -51.85 66.17 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 123.806 0.691 . . . . 3.48 110.45 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 49.6 mtt180 -57.56 -52.27 66.1 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.001 0.429 . . . . 3.93 111.379 -177.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -28.23 69.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.767 -0.651 . . . . 1.23 112.048 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.693 HD21 HD22 ' A' ' 26' ' ' LEU . 18.4 tp -82.97 -40.28 20.25 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.967 -0.56 . . . . 1.18 109.892 -178.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 11' ' ' ARG . 93.1 t -65.02 -35.62 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.486 -0.324 . . . . 1.34 110.365 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 41.6 mm-40 -59.86 -35.82 75.57 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.537 0.208 . . . . 2.04 110.92 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m -70.83 -33.56 70.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.114 -0.493 . . . . 1.74 110.039 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.38 -48.2 70.91 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.826 -0.805 . . . . 1.93 108.826 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.5 24.74 58.25 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.782 -0.645 . . . . 2.29 112.68 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -128.34 146.84 50.65 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.385 -0.969 . . . . 5.38 108.385 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -90.22 80.28 6.27 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-O 122.007 0.908 . . . . 6.52 109.26 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -150.17 153.11 35.74 Favored 'General case' 0 C--N 1.278 -2.538 0 N-CA-C 106.969 -1.493 . . . . 5.17 106.969 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.54 -12.19 58.57 Favored Glycine 0 C--N 1.313 -0.736 0 C-N-CA 120.239 -0.982 . . . . 3.3 112.67 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m 54.6 -147.31 0.52 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 108.275 -1.009 . . . . 3.12 108.275 -178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -100.91 16.47 25.11 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.565 -0.902 . . . . 2.9 108.565 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.693 HD22 HD21 ' A' ' 14' ' ' LEU . 10.0 mp -78.25 -17.89 56.08 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.827 -1.078 . . . . 2.03 111.696 -178.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.2 m -74.47 104.04 5.04 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 109.586 -0.524 . . . . 2.14 109.586 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 120.16 -107.06 1.26 Allowed Glycine 0 N--CA 1.432 -1.59 0 N-CA-C 109.753 -1.339 . . . . 1.95 109.753 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -132.19 134.52 45.46 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 109.348 -0.612 . . . . 2.57 109.348 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.656 ' HA ' HD11 ' A' ' 33' ' ' LEU . 21.7 p90 -147.25 19.45 1.22 Allowed 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 120.96 0.41 . . . . 0.88 110.623 -174.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.678 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 7.1 mp -61.67 -35.59 78.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 115.913 1.82 . . . . 1.85 115.913 -171.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.51 6.42 45.88 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.505 0.928 . . . . 2.24 113.505 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.656 HD11 ' HA ' ' A' ' 30' ' ' PHE . 8.7 mp -78.17 106.28 9.96 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.984 -0.747 . . . . 2.26 108.984 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -56.7 134.6 54.9 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 111.974 0.361 . . . . 3.72 111.974 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' HA ' HG12 ' A' ' 38' ' ' ILE . 59.1 m-85 -60.78 -31.17 70.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.59 -0.732 . . . . 0.49 110.743 178.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.04 -51.72 68.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.454 -0.794 . . . . 2.48 110.046 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.39 -37.13 71.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.438 -0.801 . . . . 2.01 111.783 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.439 HG12 ' HA ' ' A' ' 35' ' ' PHE . 33.0 pt -83.88 16.43 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.846 0.684 . . . . 1.26 112.846 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.87 32.8 85.38 Favored Glycine 0 C--O 1.247 0.924 0 N-CA-C 114.907 0.723 . . . . 0.55 114.907 174.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CZ ' ' HG ' ' A' ' 14' ' ' LEU . 1.4 m-85 -93.36 139.68 30.4 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.376 0.608 . . . . 1.7 111.914 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.624 ' HA ' H313 ' A' ' 87' ' ' PNS . 18.1 m-20 -87.05 145.51 26.45 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 107.256 -1.387 . . . . 1.89 107.256 177.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 46' ' ' MET . 48.9 m -70.79 -28.6 64.78 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 120.347 -0.541 . . . . 0.88 110.108 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.27 -24.6 65.8 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.585 -0.446 . . . . 2.3 111.218 173.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.81 -34.79 62.43 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.711 -0.848 . . . . 1.17 108.711 175.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.454 ' O ' ' HB ' ' A' ' 48' ' ' THR . 65.9 mt -65.16 -40.94 95.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.71 -0.677 . . . . 1.11 109.266 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.53 ' HG3' ' O ' ' A' ' 42' ' ' SER . 61.8 mtt -59.81 -46.06 90.41 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 114.754 -1.112 . . . . 2.29 110.166 178.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.41 -38.09 88.3 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.05 0.452 . . . . 1.92 109.967 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 91.1 m -58.08 -59.5 5.19 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.297 -0.865 . . . . 1.11 110.053 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.24 83.06 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.391 -0.368 . . . . 1.07 111.168 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -57.89 -42.79 85.4 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.928 0.491 . . . . 1.11 112.257 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 48' ' ' THR . 5.6 ptp180 -72.71 -25.49 61.25 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.991 -0.684 . . . . 3.14 109.691 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.444 HD23 ' HE2' ' A' ' 56' ' ' TYR . 95.5 mt -76.67 -31.28 57.2 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.696 -0.684 . . . . 1.18 110.359 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.484 ' OE2' ' HA ' ' A' ' 50' ' ' ALA . 46.6 mt-10 -55.94 -56.67 17.92 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 123.655 0.597 . . . . 0.64 109.843 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -65.13 -36.05 83.05 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.243 -0.889 . . . . 1.78 111.459 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -71.46 -45.86 61.47 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.363 -0.535 . . . . 4.47 112.137 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.597 ' HB3' HD21 ' A' ' 82' ' ' LEU . 96.9 m-85 -97.13 -20.9 17.66 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 115.044 1.498 . . . . 1.64 115.044 -172.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.14 46.84 2.33 Favored Glycine 0 C--N 1.309 -0.922 0 C-N-CA 119.752 -1.213 . . . . 0.91 112.887 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 23.5 m -128.54 176.2 8.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 O-C-N 122.751 -0.264 . . . . 1.79 111.363 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 p -136.16 111.49 9.12 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 123.906 0.754 . . . . 2.04 109.202 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.6 HD12 ' HG ' ' A' ' 77' ' ' LEU . 69.1 mt -134.83 111.27 11.22 Favored Pre-proline 0 C--N 1.31 -1.139 0 N-CA-C 110.007 -0.368 . . . . 1.6 110.007 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 39.2 Cg_exo -62.62 156.23 53.91 Favored 'Trans proline' 0 C--O 1.25 1.106 0 C-N-CA 123.593 2.862 . . . . 0.8 114.124 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.82 -49.2 68.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.64 1.176 . . . . 2.19 112.16 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.626 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 22.9 t70 -56.06 -43.15 77.65 Favored 'General case' 0 C--O 1.21 -1.007 0 O-C-N 123.464 0.477 . . . . 2.48 111.351 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.83 -51.99 66.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 123.526 0.73 . . . . 1.31 110.199 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.28 -21.33 65.13 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.775 -0.648 . . . . 1.1 111.951 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.56 7.57 77.46 Favored Glycine 0 N--CA 1.44 -1.077 0 C-N-CA 120.985 -0.626 . . . . 0.97 112.357 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 17.3 mtm180 -111.04 7.36 21.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 117.221 0.51 . . . . 4.05 111.135 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -87.9 105.12 15.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-O 121.906 0.86 . . . . 1.09 111.098 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -53.5 -50.36 65.56 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 113.933 -1.485 . . . . 1.88 112.362 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.494 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 19.9 p -131.83 162.36 56.91 Favored Pre-proline 0 C--N 1.308 -1.22 0 CA-C-N 115.662 -0.699 . . . . 1.09 110.697 -177.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.486 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.4 Cg_exo -56.56 -28.18 73.0 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.456 2.771 . . . . 0.4 113.592 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.678 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 3.7 ptm180 -63.14 -33.55 75.7 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.442 -0.577 . . . . 2.67 109.442 178.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -72.89 -42.96 63.04 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 108.714 -0.847 . . . . 2.23 108.714 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.17 -40.91 97.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.686 -0.857 . . . . 1.81 108.686 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.611 ' HB2' HD23 ' A' ' 10' ' ' LEU . 60.7 tp -60.06 -53.53 56.72 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.64 -0.709 . . . . 1.25 109.767 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.05 -37.02 83.38 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.468 -0.787 . . . . 0.89 111.165 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.6 ' HG ' HD12 ' A' ' 60' ' ' ILE . 56.7 tp -54.63 -49.59 70.15 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.55 0.74 . . . . 1.63 110.54 177.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.57 HD11 HD13 ' A' ' 60' ' ' ILE . 46.7 mm -71.67 -44.82 68.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.8 -0.444 . . . . 1.29 109.8 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.402 HD21 ' HB2' ' A' ' 4' ' ' LEU . 12.5 m120 -52.49 -53.08 50.61 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 116.261 -0.427 . . . . 1.45 111.202 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.86 -39.08 97.02 Favored Glycine 0 N--CA 1.441 -0.976 0 CA-C-N 115.644 -0.707 . . . . 0.5 113.012 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.76 -37.11 85.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.334 0.588 . . . . 1.17 110.188 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 56' ' ' TYR . 76.4 mt -71.27 -46.18 61.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.738 -0.665 . . . . 1.26 110.919 176.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.18 71.38 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.169 0.509 . . . . 1.54 111.135 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -65.49 -44.58 86.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.432 -0.804 . . . . 2.7 109.974 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.73 -50.22 38.51 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.2 -0.454 . . . . 2.73 111.679 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 C-N-CA 124.737 1.215 . . . . 5.02 112.226 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . 0.624 H313 ' HA ' ' A' ' 41' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.563 ' HG2' HG21 ' A' ' 3' ' ' THR . 52.0 ttm . . . . . 0 CA--C 1.513 -0.46 0 N-CA-C 109.783 -0.451 . . . . 5.83 109.783 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.51 84.6 5.97 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 121.072 0.463 . . . . 1.95 111.13 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.563 HG21 ' HG2' ' A' ' 1' ' ' MET . 1.8 p -86.24 106.3 17.23 Favored 'General case' 0 N--CA 1.423 -1.785 0 CA-C-N 115.208 -0.906 . . . . 2.28 108.898 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.855 HD22 ' HA ' ' A' ' 79' ' ' ASN . 65.2 mt -89.87 158.18 17.56 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.931 -0.577 . . . . 1.62 109.935 -174.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.522 ' HG ' HG23 ' A' ' 78' ' ' ILE . 96.0 mt -72.61 147.87 45.41 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 116.255 -0.43 . . . . 2.09 110.4 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -87.15 -178.45 6.24 Favored 'General case' 0 N--CA 1.418 -2.034 0 N-CA-C 107.951 -1.129 . . . . 1.41 107.951 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 m -72.35 -37.57 68.8 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 107.864 -1.161 . . . . 1.31 107.864 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -65.22 -45.68 83.7 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.178 -0.919 . . . . 2.29 112.652 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.21 -32.21 71.32 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.476 -0.89 . . . . 1.83 110.09 -177.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 75' ' ' LEU . 51.5 tp -69.41 -38.42 77.91 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.007 -0.738 . . . . 1.37 109.007 175.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' O ' HG23 ' A' ' 15' ' ' VAL . 22.8 ttp85 -57.93 -50.51 73.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.544 -0.753 . . . . 3.48 109.281 175.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -60.14 -45.66 92.28 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.056 -0.52 . . . . 3.93 110.555 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.597 ' HB3' HH21 ' A' ' 51' ' ' ARG . . . -51.58 -50.99 59.08 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 124.203 1.001 . . . . 1.23 111.804 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.2 tp -75.54 -27.25 58.6 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 114.683 -1.144 . . . . 1.18 111.986 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 11' ' ' ARG . 94.5 t -72.78 -45.38 56.81 Favored 'Isoleucine or valine' 0 C--O 1.248 0.997 0 N-CA-C 108.444 -0.946 . . . . 1.34 108.444 173.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -61.43 -23.77 66.07 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.468 -0.787 . . . . 2.04 112.02 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 m -68.35 -46.7 69.42 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 120.673 0.273 . . . . 1.74 110.483 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.71 -50.42 57.58 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.157 -0.474 . . . . 1.93 110.009 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.87 -73.25 2.59 Favored Glycine 0 N--CA 1.442 -0.963 0 CA-C-N 115.728 -0.669 . . . . 2.29 114.193 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -108.79 112.84 25.33 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 113.421 0.897 . . . . 5.38 113.421 -172.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.3 m 73.06 107.59 0.07 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 115.353 1.612 . . . . 6.52 115.353 169.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.57 ' CG ' ' H ' ' A' ' 23' ' ' GLY . 13.1 t70 68.28 -164.38 0.2 Allowed 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 113.687 -1.597 . . . . 5.17 113.274 168.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.57 ' H ' ' CG ' ' A' ' 22' ' ' ASP . . . 136.53 -64.63 0.57 Allowed Glycine 0 N--CA 1.417 -2.57 0 N-CA-C 105.766 -2.934 . . . . 3.3 105.766 -172.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t 162.22 -170.61 0.01 OUTLIER 'General case' 0 C--O 1.245 0.834 0 C-N-CA 127.434 2.294 . . . . 3.12 104.948 174.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -89.02 -27.99 20.48 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 107.166 -1.42 . . . . 2.9 107.166 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 tp 61.53 20.55 11.32 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.613 1.565 . . . . 2.03 112.095 171.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -105.32 -23.36 12.87 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.54 -0.864 . . . . 2.14 113.243 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.66 74.17 1.0 Allowed Glycine 0 C--N 1.278 -2.693 0 CA-C-N 115.726 -0.67 . . . . 1.95 112.057 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.9 t70 49.84 91.05 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.401 1.48 . . . . 2.57 111.335 -176.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.499 ' HA ' HD22 ' A' ' 33' ' ' LEU . 34.1 p90 -96.02 2.95 53.73 Favored 'General case' 0 C--N 1.281 -2.381 0 C-N-CA 119.83 -0.748 . . . . 0.88 112.169 -176.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.811 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 1.8 mm? -78.66 -23.42 45.74 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.379 -0.528 . . . . 1.85 111.215 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -83.91 -26.75 29.11 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 120.869 0.366 . . . . 2.24 111.704 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 30' ' ' PHE . 3.5 mm? -69.74 144.5 52.73 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 109.091 -0.707 . . . . 2.26 109.091 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -90.34 158.06 17.32 Favored 'General case' 0 C--N 1.286 -2.157 0 N-CA-C 108.73 -0.841 . . . . 3.72 108.73 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.405 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 41.9 m-85 -66.61 -31.38 72.03 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 120.566 -0.453 . . . . 0.49 110.599 177.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.91 -30.36 70.93 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.825 -0.625 . . . . 2.48 110.522 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.94 -41.95 77.39 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.187 0.518 . . . . 2.01 109.776 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.2 pt -89.82 18.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 113.18 0.807 . . . . 1.26 113.18 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.47 27.32 73.54 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 116.176 -0.466 . . . . 0.55 113.877 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -101.08 121.63 42.15 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 122.467 -0.431 . . . . 1.7 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -90.05 161.64 15.73 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.922 -0.769 . . . . 1.89 108.922 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.477 ' H ' ' P24' ' A' ' 87' ' ' PNS . 16.9 m -54.19 -34.26 60.11 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 124.974 1.31 . . . . 0.88 113.015 -177.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.19 -32.6 72.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.923 0.392 . . . . 2.3 111.385 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.12 -26.73 61.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.102 0.477 . . . . 1.17 110.32 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.28 -30.4 69.41 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.647 -0.706 . . . . 1.11 110.311 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.493 ' HA ' ' HB2' ' A' ' 65' ' ' ALA . 78.2 mtp -65.79 -34.57 78.46 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 114.996 -1.002 . . . . 2.29 109.675 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.69 -46.57 75.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.844 -0.798 . . . . 1.92 108.844 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.9 m -56.62 -53.26 59.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.299 -0.864 . . . . 1.11 110.114 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.7 99.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.044 -0.525 . . . . 1.07 112.004 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.7 -33.52 75.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.011 0.375 . . . . 1.11 112.011 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.597 HH21 ' HB3' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -67.62 -24.45 65.47 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.471 -0.936 . . . . 3.14 108.471 178.218 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.2 mt -83.72 -34.93 24.79 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.684 -0.689 . . . . 1.18 110.685 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -56.92 -53.7 55.03 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 116.384 -0.371 . . . . 0.64 110.291 177.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 p -64.77 -31.11 72.19 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.204 -0.907 . . . . 1.78 111.171 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HA ' ' HE ' ' A' ' 55' ' ' ARG . 1.5 tpm_? -69.36 -44.24 71.97 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.228 -0.896 . . . . 4.47 112.3 -176.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -110.25 -10.22 14.63 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.22 1.192 . . . . 1.64 114.22 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.3 52.53 4.49 Favored Glycine 0 C--N 1.297 -1.625 0 C-N-CA 119.74 -1.219 . . . . 0.91 110.539 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 p -127.69 173.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 N-CA-C 107.427 -1.323 . . . . 1.79 107.427 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.9 m -133.81 128.23 34.32 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 118.678 0.672 . . . . 2.04 110.795 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.2 mt -127.57 108.21 20.84 Favored Pre-proline 0 C--N 1.306 -1.309 0 N-CA-C 108.62 -0.882 . . . . 1.6 108.62 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.47 ' HD2' HG22 ' A' ' 64' ' ' VAL . 43.8 Cg_exo -58.85 157.53 28.18 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.978 2.452 . . . . 0.8 113.114 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.93 -54.21 38.13 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.972 1.309 . . . . 2.19 112.391 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 17.3 t70 -60.88 -40.05 91.54 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.899 -0.591 . . . . 2.48 111.131 -176.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.47 HG22 ' HD2' ' A' ' 61' ' ' PRO . 60.4 t -60.02 -56.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 124.881 1.272 . . . . 1.31 110.73 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.493 ' HB2' ' HA ' ' A' ' 46' ' ' MET . . . -56.34 -37.41 69.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.677 -0.692 . . . . 1.1 111.795 -177.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.53 23.43 36.21 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.334 -0.936 . . . . 0.97 112.242 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 13.0 tpt180 -100.55 -25.07 14.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.341 0.591 . . . . 4.05 109.695 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 73' ' ' GLU . 36.0 m -73.31 130.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.214 -0.903 . . . . 1.09 112.049 -174.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -88.88 -43.86 10.89 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.513 0.673 . . . . 1.88 110.839 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.7 p -115.96 154.23 48.34 Favored Pre-proline 0 C--N 1.303 -1.448 0 CA-C-N 115.698 -0.683 . . . . 1.09 110.066 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.405 ' HG3' ' CE1' ' A' ' 35' ' ' PHE . 51.2 Cg_exo -58.5 -21.87 56.51 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.628 2.885 . . . . 0.4 113.883 -178.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.811 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 13.6 ptp180 -67.0 -32.68 74.07 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-O 121.074 0.464 . . . . 2.67 110.098 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 31.1 mt-10 -72.57 -37.41 68.21 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.756 -0.656 . . . . 2.23 109.385 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.98 -39.69 87.25 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 107.778 -1.193 . . . . 1.81 107.778 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.523 ' HB2' HD23 ' A' ' 10' ' ' LEU . 56.8 tp -63.19 -43.57 97.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.539 -0.755 . . . . 1.25 109.649 176.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.31 -27.33 68.53 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.769 -0.65 . . . . 0.89 111.555 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 82.5 mt -60.73 -46.36 90.71 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.779 -0.823 . . . . 1.63 108.779 175.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.522 HG23 ' HG ' ' A' ' 5' ' ' LEU . 44.4 mm -66.45 -55.63 17.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.738 -1.119 . . . . 1.29 109.33 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.855 ' HA ' HD22 ' A' ' 4' ' ' LEU . 15.3 m120 -51.33 -53.61 34.42 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.903 0.752 . . . . 1.45 110.523 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.21 -49.64 75.76 Favored Glycine 0 N--CA 1.428 -1.878 0 CA-C-N 115.088 -0.96 . . . . 0.5 112.919 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.8 89.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 117.441 0.62 . . . . 1.17 111.459 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.12 -41.99 76.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.437 0.532 . . . . 1.26 112.437 -177.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.39 4.16 28.69 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 112.203 0.446 . . . . 1.54 112.203 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -124.56 -57.0 1.58 Allowed 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.666 -0.243 . . . . 2.7 111.135 -178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -91.71 -12.9 32.7 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 113.704 1.001 . . . . 2.73 113.704 -172.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.272 0 CA-C-O 118.7 -0.667 . . . . 5.02 110.424 -178.361 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . 0.477 ' P24' ' H ' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 C--O 1.242 0.695 0 CA-C-O 120.72 0.295 . . . . 5.83 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.696 ' HB2' ' HB3' ' A' ' 82' ' ' LEU . . . -95.9 152.96 18.02 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.019 -0.734 . . . . 1.95 109.019 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.1 m -71.69 107.78 4.7 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 123.596 0.56 . . . . 2.28 110.657 -177.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.68 HD21 ' HA ' ' A' ' 79' ' ' ASN . 55.0 mt -66.82 121.9 16.5 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.862 -0.608 . . . . 1.62 109.735 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.41 148.28 43.46 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.041 -0.527 . . . . 2.09 110.435 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 p -91.89 -173.55 3.53 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 112.724 0.638 . . . . 1.41 112.724 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.412 ' CG2' HD23 ' A' ' 31' ' ' LEU . 30.1 m -66.07 -39.27 89.92 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 123.581 0.753 . . . . 1.31 110.047 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 3.7 m-20 -62.58 -39.74 94.68 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.948 -0.569 . . . . 2.29 112.154 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.38 -42.53 68.31 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 119.809 -0.756 . . . . 1.83 110.025 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.69 HD23 ' HB2' ' A' ' 75' ' ' LEU . 50.3 tp -54.67 -45.85 73.95 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 123.945 0.778 . . . . 1.37 109.598 176.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.468 ' O ' HG22 ' A' ' 15' ' ' VAL . 40.6 ttm180 -52.51 -51.4 59.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.274 -0.875 . . . . 3.48 110.789 177.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.47 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 76.2 mtm180 -63.37 -45.58 90.46 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.035 0.445 . . . . 3.93 111.061 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.73 64.96 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 1.23 111.811 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.563 HD22 HD21 ' A' ' 26' ' ' LEU . 29.3 tp -78.78 -41.26 30.97 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.808 -0.441 . . . . 1.18 109.808 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 11' ' ' ARG . 90.1 t -57.92 -34.14 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.576 0.351 . . . . 1.34 110.854 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 13.0 mm-40 -60.17 -34.61 73.82 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.048 -0.524 . . . . 2.04 110.832 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m -76.0 -17.37 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.645 0.736 . . . . 1.74 110.697 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.32 28.33 8.84 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 108.066 -1.087 . . . . 1.93 108.066 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.26 65.83 0.74 Allowed Glycine 0 C--N 1.339 0.714 0 CA-C-N 114.96 -1.018 . . . . 2.29 113.52 -177.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -161.46 106.97 1.33 Allowed 'General case' 0 N--CA 1.427 -1.595 0 C-N-CA 124.903 1.281 . . . . 5.38 109.723 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 m 61.89 61.96 1.32 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.526 -1.215 . . . . 6.52 110.926 -177.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 73.3 -58.28 0.6 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.787 1.635 . . . . 5.17 112.407 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.05 -103.82 1.28 Allowed Glycine 0 N--CA 1.41 -3.048 0 N-CA-C 109.862 -1.295 . . . . 3.3 109.862 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -141.41 172.26 12.93 Favored 'General case' 0 C--N 1.282 -2.359 0 C-N-CA 123.619 0.768 . . . . 3.12 109.193 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -76.91 -53.6 7.66 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.683 -1.228 . . . . 2.9 107.683 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.563 HD21 HD22 ' A' ' 14' ' ' LEU . 12.6 tp 58.5 15.03 3.31 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.204 1.402 . . . . 2.03 113.436 168.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.8 p -94.49 1.59 55.73 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.548 0.944 . . . . 2.14 113.548 -174.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.89 -143.59 14.27 Favored Glycine 0 C--N 1.296 -1.641 0 N-CA-C 110.638 -0.985 . . . . 1.95 110.638 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.431 ' O ' HD12 ' A' ' 33' ' ' LEU . 23.4 t70 -95.14 97.03 9.61 Favored 'General case' 0 CA--C 1.484 -1.566 0 N-CA-C 108.078 -1.082 . . . . 2.57 108.078 175.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -98.9 1.0 45.28 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 115.334 -0.848 . . . . 0.88 110.672 -176.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' A' ' 70' ' ' THR . 2.9 mm? -72.38 -27.77 62.59 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.407 -0.36 . . . . 1.85 111.748 -174.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -96.49 -12.29 24.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.628 0.728 . . . . 2.24 110.669 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 29' ' ' ASP . 10.1 mp -77.92 137.9 38.59 Favored 'General case' 0 CA--C 1.488 -1.434 0 CA-C-N 115.424 -0.807 . . . . 2.26 110.319 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -83.1 156.82 23.09 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-N 116.069 -0.514 . . . . 3.72 109.991 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.47 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 75.2 m-85 -69.11 -19.7 64.05 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 115.922 -0.581 . . . . 0.49 112.19 -175.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.75 -32.6 74.36 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 123.535 0.522 . . . . 2.48 110.635 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -72.34 -45.83 58.16 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.291 0.567 . . . . 2.01 110.813 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.9 pt -85.87 12.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 CA-C-N 115.508 -0.769 . . . . 1.26 112.84 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.57 41.17 72.73 Favored Glycine 0 N--CA 1.463 0.494 0 CA-C-N 115.556 -0.747 . . . . 0.55 113.546 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -95.72 135.33 37.56 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 112.82 0.674 . . . . 1.7 112.82 -177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.418 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.8 m-20 -85.32 148.93 25.79 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.549 -1.205 . . . . 1.89 108.416 174.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -61.53 -34.1 74.95 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.574 0.702 . . . . 0.88 109.107 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.15 -36.15 83.11 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.066 -0.97 . . . . 2.3 110.671 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.02 80.74 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.878 -0.601 . . . . 1.17 109.426 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 64.4 mt -63.41 -38.71 92.2 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.692 0.758 . . . . 1.11 109.51 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.509 ' HE1' ' HB2' ' A' ' 62' ' ' ASP . 54.0 mtp -63.13 -37.53 87.57 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.669 -1.15 . . . . 2.29 110.916 176.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.89 -38.86 79.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.791 -0.448 . . . . 1.92 109.791 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.47 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 29.9 m -52.95 -58.07 8.2 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.651 -0.704 . . . . 1.11 109.151 174.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.93 -37.4 86.88 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.801 -0.636 . . . . 1.07 111.225 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.481 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -59.51 -43.43 93.38 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.36 0.504 . . . . 1.11 112.36 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.3 ptp180 -70.05 -24.35 63.24 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.536 0.684 . . . . 3.14 109.98 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 48' ' ' THR . 83.9 mt -81.41 -32.94 32.49 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.697 -0.683 . . . . 1.18 109.551 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.481 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 47.0 mt-10 -55.73 -53.83 51.76 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.811 -0.631 . . . . 0.64 109.467 174.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.7 p -71.19 -24.63 62.26 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.176 -0.92 . . . . 1.78 112.66 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -79.99 -26.09 40.06 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.95 -0.3 . . . . 4.47 111.088 -177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -117.37 -10.66 10.68 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.289 1.218 . . . . 1.64 114.289 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.31 45.62 9.79 Favored Glycine 0 C--N 1.303 -1.264 0 C-N-CA 119.684 -1.246 . . . . 0.91 110.292 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 p -128.65 174.13 12.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 106.194 -1.78 . . . . 1.79 106.194 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 t -143.23 146.21 33.45 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-N 119.197 0.908 . . . . 2.04 110.027 177.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.34 114.94 10.68 Favored Pre-proline 0 C--N 1.307 -1.253 0 C-N-CA 123.951 0.9 . . . . 1.6 108.674 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.412 ' HB2' HG23 ' A' ' 64' ' ' VAL . 50.7 Cg_exo -56.39 147.04 70.32 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.914 2.409 . . . . 0.8 111.675 175.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.509 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 4.0 p-10 -60.46 -29.68 69.19 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.784 0.434 . . . . 2.19 112.109 -177.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.46 -15.1 62.78 Favored 'General case' 0 C--O 1.201 -1.498 0 N-CA-C 111.918 0.34 . . . . 2.48 111.918 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' A' ' 61' ' ' PRO . 56.6 t -85.75 -56.5 5.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 109.238 -0.653 . . . . 1.31 109.238 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.55 74.41 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.38 -0.827 . . . . 1.1 111.962 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.25 39.65 2.78 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.548 -0.834 . . . . 0.97 111.071 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -145.53 17.13 1.49 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 122.361 1.077 . . . . 4.05 109.175 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.469 HG21 HD21 ' A' ' 74' ' ' LEU . 31.5 m -102.54 117.43 47.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 CA-C-N 115.353 -0.839 . . . . 1.09 109.74 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -67.44 -47.97 68.63 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 115.566 -0.743 . . . . 1.88 110.364 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 24.3 p -127.25 157.1 73.53 Favored Pre-proline 0 N--CA 1.427 -1.587 0 CA-C-N 115.592 -0.731 . . . . 1.09 110.502 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.47 ' HG3' ' CE1' ' A' ' 35' ' ' PHE . 31.9 Cg_exo -61.34 -16.9 49.97 Favored 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 123.47 2.78 . . . . 0.4 112.721 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.9 -40.04 83.3 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 109.333 -0.618 . . . . 2.67 109.333 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.622 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.9 mp0 -74.09 -38.6 63.84 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.944 -0.571 . . . . 2.23 110.646 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.503 HD22 HD12 ' A' ' 77' ' ' LEU . 1.8 tm? -62.28 -40.56 96.67 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 108.695 -0.854 . . . . 1.81 108.695 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.69 ' HB2' HD23 ' A' ' 10' ' ' LEU . 63.2 tp -65.05 -44.51 88.78 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 115.682 -0.69 . . . . 1.25 109.325 175.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.33 -36.32 81.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.831 -1.077 . . . . 0.89 112.165 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 90.6 mt -54.51 -50.45 67.78 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.402 0.62 . . . . 1.63 109.686 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.92 -52.59 47.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.915 -1.039 . . . . 1.29 110.584 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.68 ' HA ' HD21 ' A' ' 4' ' ' LEU . 12.6 m120 -60.47 -29.92 69.36 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.497 -0.32 . . . . 1.45 111.826 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.21 -54.44 4.75 Favored Glycine 0 N--CA 1.43 -1.709 0 C-N-CA 120.823 -0.703 . . . . 0.5 111.404 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.12 87.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.437 0.532 . . . . 1.17 112.437 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.696 ' HB3' ' HB2' ' A' ' 2' ' ' ALA . 82.5 mt -73.09 -16.82 61.46 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.774 0.657 . . . . 1.26 112.774 -176.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.02 -40.58 7.56 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.043 0.449 . . . . 1.54 111.343 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -84.36 -34.63 23.58 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 116.167 -0.47 . . . . 2.7 112.042 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 59.35 79.6 0.22 Allowed 'General case' 0 C--O 1.245 0.859 0 C-N-CA 123.952 0.901 . . . . 2.73 110.679 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 CA-C-N 115.156 -0.929 . . . . 5.02 109.144 -177.171 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 CA--C 1.505 -0.779 0 N-CA-C 108.773 -0.825 . . . . 5.83 108.773 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.51 171.89 13.44 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.627 -0.879 . . . . 1.95 108.627 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.6 m -74.97 106.86 6.68 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.969 -0.752 . . . . 2.28 108.969 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.9 mt -89.84 133.6 34.64 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.739 -0.837 . . . . 1.62 108.739 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.505 ' HG ' HG21 ' A' ' 78' ' ' ILE . 1.1 pp -75.42 147.29 40.07 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 120.136 -0.626 . . . . 2.09 111.75 176.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.1 p -97.82 -170.81 2.05 Favored 'General case' 0 C--N 1.293 -1.866 0 CA-C-N 115.168 -0.924 . . . . 1.41 110.521 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -64.29 -49.31 72.32 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 107.814 -1.18 . . . . 1.31 107.814 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.0 -38.85 92.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.83 -1.077 . . . . 2.29 111.73 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -62.67 -48.11 80.73 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 110.26 -0.274 . . . . 1.83 110.26 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 tp -56.72 -49.46 75.09 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 124.041 0.838 . . . . 1.37 109.816 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.466 ' HG3' HD23 ' A' ' 26' ' ' LEU . 19.5 ttp85 -51.74 -54.59 26.74 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.821 0.7 . . . . 3.48 111.522 178.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -62.44 -35.27 78.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.81 0.67 . . . . 3.93 112.81 -177.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.11 -45.23 58.19 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.391 0.615 . . . . 1.23 110.503 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.614 HD23 HD22 ' A' ' 26' ' ' LEU . 34.1 tp -63.31 -41.45 98.94 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 124.509 1.124 . . . . 1.18 112.228 -175.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.39 -17.46 16.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 122.259 1.028 . . . . 1.34 110.114 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -35.26 31.13 Favored 'General case' 0 N--CA 1.422 -1.837 0 N-CA-C 107.593 -1.262 . . . . 2.04 107.593 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.417 ' OG ' ' HD3' ' A' ' 51' ' ' ARG . 9.3 m -62.78 -45.58 91.99 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.419 0.628 . . . . 1.74 110.048 175.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.32 107.7 4.08 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 108.69 -0.856 . . . . 1.93 108.69 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.28 44.83 1.42 Allowed Glycine 0 C--N 1.286 -2.238 0 N-CA-C 111.272 -0.731 . . . . 2.29 111.272 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -75.74 150.24 37.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.597 0.237 . . . . 5.38 110.781 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.414 ' C ' ' H ' ' A' ' 23' ' ' GLY . 31.9 p 50.01 67.0 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 124.718 1.207 . . . . 6.52 112.153 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 t70 72.07 -21.66 0.22 Allowed 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 124.947 1.299 . . . . 5.17 112.27 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 21' ' ' THR . . . 88.69 14.17 61.73 Favored Glycine 0 N--CA 1.438 -1.225 0 N-CA-C 109.596 -1.402 . . . . 3.3 109.596 -175.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.9 p 53.69 -174.28 0.03 OUTLIER 'General case' 0 C--O 1.24 0.603 0 C-N-CA 125.662 1.585 . . . . 3.12 113.46 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.4 -50.43 5.46 Favored 'General case' 0 CA--C 1.486 -1.511 0 N-CA-C 106.033 -1.84 . . . . 2.9 106.033 171.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.614 HD22 HD23 ' A' ' 14' ' ' LEU . 15.3 tp 56.55 21.56 5.81 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.541 1.537 . . . . 2.03 110.439 176.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 m -103.85 99.82 9.6 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 115.65 -0.705 . . . . 2.14 110.155 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.04 -150.61 22.28 Favored Glycine 0 N--CA 1.421 -2.359 0 N-CA-C 108.686 -1.766 . . . . 1.95 108.686 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -88.22 97.38 10.98 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 122.311 1.053 . . . . 2.57 108.202 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.474 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 49.4 p90 -110.72 8.21 22.47 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 114.956 -1.02 . . . . 0.88 110.174 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.663 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 2.6 mm? -68.35 -27.84 66.61 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.092 -0.504 . . . . 1.85 111.541 -173.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -97.25 -4.31 39.09 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.189 -0.46 . . . . 2.24 110.909 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.5 tp -81.52 106.08 13.19 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.588 -0.893 . . . . 2.26 108.588 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.402 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 64.7 mtp180 -60.85 141.76 56.81 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.337 -0.847 . . . . 3.72 111.293 -176.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.443 ' HB3' ' HB2' ' A' ' 40' ' ' TYR . 56.0 m-85 -64.5 -31.27 72.41 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.087 -0.96 . . . . 0.49 111.427 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -54.93 -44.62 74.41 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.361 0.665 . . . . 2.48 110.354 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.402 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 36.2 m-20 -69.47 -26.55 64.63 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.26 -0.427 . . . . 2.01 111.894 -176.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.8 pt -106.49 19.62 5.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 113.431 0.9 . . . . 1.26 113.431 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.43 42.34 99.08 Favored Glycine 0 C--N 1.319 -0.407 0 CA-C-N 115.746 -0.661 . . . . 0.55 114.273 176.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.443 ' HB2' ' HB3' ' A' ' 35' ' ' PHE . 6.7 m-85 -106.67 109.43 21.33 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 122.398 -0.472 . . . . 1.7 110.829 177.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.707 ' HA ' H422 ' A' ' 87' ' ' PNS . 4.8 m-20 -79.47 164.67 23.76 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.853 -1.165 . . . . 1.89 107.853 176.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.557 ' HB3' ' HE3' ' A' ' 46' ' ' MET . 59.4 m -52.26 -35.33 49.63 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.357 0.411 . . . . 0.88 111.059 175.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.11 -40.91 71.01 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.544 0.738 . . . . 2.3 111.369 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.91 -32.43 57.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.498 0.666 . . . . 1.17 110.737 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 mt -75.47 -42.91 51.92 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.869 -0.605 . . . . 1.11 110.434 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.557 ' HE3' ' HB3' ' A' ' 42' ' ' SER . 65.3 mtt -64.27 -36.75 85.12 Favored 'General case' 0 CA--C 1.5 -0.962 0 CA-C-N 115.71 -0.677 . . . . 2.29 109.782 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 8.0 tp10 -58.66 -50.56 73.41 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.89 -0.781 . . . . 1.92 108.89 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.541 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 91.7 m -55.64 -51.2 68.01 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 114.5 -1.227 . . . . 1.11 110.54 177.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -59.57 -46.03 90.12 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 121.087 -0.245 . . . . 1.07 110.908 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.452 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -57.58 -48.66 78.75 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.469 0.708 . . . . 1.11 112.702 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 11.2 ptm180 -64.45 -30.99 72.02 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.198 0.523 . . . . 3.14 111.273 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 48' ' ' THR . 95.3 mt -75.97 -35.78 59.51 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.356 -0.383 . . . . 1.18 110.412 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 47.5 mt-10 -55.27 -48.54 73.88 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.577 0.548 . . . . 0.64 109.675 176.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.1 m -61.68 -34.36 75.61 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.93 -1.032 . . . . 1.78 113.336 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.462 ' HD2' ' CE2' ' A' ' 56' ' ' TYR . 36.5 ttm180 -87.03 -42.73 12.86 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.954 0.407 . . . . 4.47 111.885 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.489 ' CE2' HD23 ' A' ' 5' ' ' LEU . 99.3 m-85 -96.14 -18.43 20.13 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 114.452 1.279 . . . . 1.64 114.452 -170.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.81 62.31 2.15 Favored Glycine 0 C--N 1.309 -0.968 0 C-N-CA 119.716 -1.231 . . . . 0.91 110.722 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.487 ' CG1' ' HA ' ' A' ' 53' ' ' GLU . 7.1 p -136.87 151.93 28.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 108.017 -1.105 . . . . 1.79 108.017 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.2 m -116.25 116.81 28.45 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.472 -0.566 . . . . 2.04 109.472 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.479 HD12 HD11 ' A' ' 78' ' ' ILE . 63.2 mt -122.43 109.35 32.97 Favored Pre-proline 0 C--N 1.311 -1.1 0 CA-C-O 120.803 0.335 . . . . 1.6 110.33 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.96 157.37 53.2 Favored 'Trans proline' 0 C--O 1.255 1.345 0 C-N-CA 123.301 2.667 . . . . 0.8 113.6 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.451 ' O ' ' HE1' ' A' ' 46' ' ' MET . 14.3 t70 -49.86 -59.01 4.25 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.148 1.779 . . . . 2.19 112.995 -178.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -53.68 -42.65 68.16 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.005 0.522 . . . . 2.48 111.315 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.44 -59.49 4.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 114.424 -1.262 . . . . 1.31 110.995 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.29 -16.16 61.6 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.772 0.656 . . . . 1.1 112.772 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.23 4.46 44.59 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.229 -0.986 . . . . 0.97 111.757 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -104.42 -13.81 15.95 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.284 0.564 . . . . 4.05 110.044 -177.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.514 HG12 HD11 ' A' ' 77' ' ' LEU . 31.1 m -72.97 105.41 2.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-O 121.82 0.819 . . . . 1.09 111.786 -177.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.18 -40.91 67.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.506 -0.77 . . . . 1.88 112.383 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 25.5 p -122.56 158.04 57.54 Favored Pre-proline 0 C--N 1.303 -1.424 0 CA-C-N 116.267 -0.424 . . . . 1.09 110.986 -177.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.663 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.8 Cg_exo -57.87 -18.68 35.83 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 123.167 2.578 . . . . 0.4 112.138 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 31' ' ' LEU . 37.4 mmt180 -50.68 -53.96 26.92 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 108.603 -0.888 . . . . 2.67 108.603 172.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 6.1 mm-40 -66.35 -49.27 67.49 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 113.563 -1.653 . . . . 2.23 110.735 -175.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.44 -42.72 96.7 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.917 -0.583 . . . . 1.81 109.99 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.2 tp -65.95 -44.2 85.69 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 108.927 -0.768 . . . . 1.25 108.927 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -59.06 -41.15 87.23 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 114.502 -1.226 . . . . 0.89 111.295 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 77.5 mt -52.61 -55.06 25.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.437 0.695 . . . . 1.63 110.576 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.505 HG21 ' HG ' ' A' ' 5' ' ' LEU . 36.6 mm -65.07 -60.56 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-N 114.588 -1.187 . . . . 1.29 110.137 -177.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -50.14 -52.99 30.64 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.712 0.633 . . . . 1.45 112.443 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.27 99.35 Favored Glycine 0 C--O 1.239 0.461 0 O-C-N 123.49 0.494 . . . . 0.5 113.565 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.42 -34.62 67.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.811 0.339 . . . . 1.17 111.296 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 56' ' ' TYR . 79.2 mt -73.36 -21.97 60.4 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.723 0.297 . . . . 1.26 111.328 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.58 1.43 46.03 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 120.807 0.337 . . . . 1.54 110.976 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -132.77 -46.36 0.87 Allowed 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 113.102 0.779 . . . . 2.7 113.102 -177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.06 21.15 15.29 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.988 0.423 . . . . 2.73 111.748 -175.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.268 0 N-CA-C 109.918 -0.401 . . . . 5.02 109.918 -179.146 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . 0.707 H422 ' HA ' ' A' ' 41' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 CA--C 1.503 -0.828 0 N-CA-C 108.437 -0.949 . . . . 5.83 108.437 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.12 121.01 43.65 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.329 -0.989 . . . . 1.95 108.329 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 t -73.64 106.55 5.45 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-O 122.455 1.122 . . . . 2.28 109.047 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 79' ' ' ASN . 89.1 mt -101.2 132.6 46.62 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.992 -1.004 . . . . 1.62 108.873 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -75.37 139.79 42.6 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.149 -0.478 . . . . 2.09 110.367 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.9 p -101.89 -169.33 1.66 Allowed 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.591 -0.731 . . . . 1.41 109.213 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.563 HG21 HD22 ' A' ' 31' ' ' LEU . 28.0 m -55.24 -54.45 43.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.029 0.532 . . . . 1.31 111.213 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.485 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 24.3 t70 -63.32 -38.13 89.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.984 0.365 . . . . 2.29 111.984 -177.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -60.64 -47.07 87.87 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 108.906 -0.775 . . . . 1.83 108.906 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.4 HD23 ' HB2' ' A' ' 75' ' ' LEU . 62.1 tp -63.15 -42.1 99.39 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.163 -0.926 . . . . 1.37 110.223 178.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.2 ttp85 -53.4 -52.92 57.77 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 123.51 0.506 . . . . 3.48 110.676 178.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 68.3 mtt180 -57.23 -48.87 77.74 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 123.685 0.616 . . . . 3.93 110.641 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.65 -31.17 70.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.833 -0.622 . . . . 1.23 112.466 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.675 ' HG ' HD22 ' A' ' 26' ' ' LEU . 58.2 tp -81.94 -34.19 29.95 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.447 -0.342 . . . . 1.18 111.367 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.449 HG21 HD23 ' A' ' 26' ' ' LEU . 50.5 t -75.34 -23.73 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.825 -0.806 . . . . 1.34 108.825 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.97 -36.7 77.68 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.142 -0.935 . . . . 2.04 110.027 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.424 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 13.8 m -79.31 -10.18 59.75 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 120.871 0.367 . . . . 1.74 111.328 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.2 -30.36 11.96 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.43 0.633 . . . . 1.93 109.586 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.06 -160.09 40.22 Favored Glycine 0 N--CA 1.429 -1.77 0 N-CA-C 110.603 -0.999 . . . . 2.29 110.603 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -92.41 73.2 5.24 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.945 0.878 . . . . 5.38 109.602 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 p -123.36 -140.29 0.31 Allowed 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 106.562 -1.644 . . . . 6.52 106.562 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.23 -62.54 1.63 Allowed 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 107.592 -1.262 . . . . 5.17 107.592 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.48 1.84 89.05 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 110.535 -1.026 . . . . 3.3 110.535 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.422 HG21 HG23 ' A' ' 38' ' ' ILE . 11.0 m 60.39 38.84 19.23 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.042 0.937 . . . . 3.12 109.204 -176.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 68.53 -66.07 0.25 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.083 1.353 . . . . 2.9 110.252 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.675 HD22 ' HG ' ' A' ' 14' ' ' LEU . 12.2 tp 62.03 30.28 17.89 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 125.377 1.471 . . . . 2.03 110.316 173.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.0 m -114.16 163.23 15.5 Favored 'General case' 0 N--CA 1.426 -1.645 0 CA-C-N 114.85 -1.068 . . . . 2.14 109.151 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.35 -136.36 21.13 Favored Glycine 0 N--CA 1.434 -1.472 0 N-CA-C 108.848 -1.701 . . . . 1.95 108.848 -175.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -97.85 122.66 41.23 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.092 -1.077 . . . . 2.57 108.092 174.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' HA ' HD23 ' A' ' 33' ' ' LEU . 43.4 p90 -125.34 14.53 8.3 Favored 'General case' 0 C--N 1.278 -2.542 0 CA-C-N 115.964 -0.562 . . . . 0.88 109.697 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.629 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.0 mm? -78.92 -23.59 44.62 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.216 -0.447 . . . . 1.85 112.176 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -93.79 3.65 55.11 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.686 0.625 . . . . 2.24 112.686 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 30' ' ' PHE . 3.2 mm? -99.8 149.84 22.95 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 109.512 -0.551 . . . . 2.26 109.512 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -89.02 146.45 24.85 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.443 0.639 . . . . 3.72 112.326 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.636 ' HA ' HG12 ' A' ' 38' ' ' ILE . 62.6 m-85 -64.1 -32.17 73.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.127 -0.942 . . . . 0.49 112.633 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -23.55 63.95 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 112.525 0.565 . . . . 2.48 112.525 -178.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -87.78 -25.91 23.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.127 0.489 . . . . 2.01 110.619 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.636 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -90.09 18.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 112.453 0.538 . . . . 1.26 112.453 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.23 32.41 65.47 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.55 113.964 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.424 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 1.4 m-85 -110.76 138.55 47.02 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 113.491 0.922 . . . . 1.7 113.491 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.515 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 32.0 m-20 -94.5 166.19 12.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 115.29 -0.868 . . . . 1.89 109.66 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -66.55 -41.54 88.5 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.99 0.9 . . . . 0.88 108.685 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.52 -31.31 72.31 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.337 -1.301 . . . . 2.3 110.08 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.2 -23.83 54.65 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.619 -0.719 . . . . 1.17 110.333 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 40.2 mt -74.78 -39.36 61.8 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 108.851 -0.796 . . . . 1.11 108.851 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.451 ' HE3' ' O ' ' A' ' 62' ' ' ASP . 49.6 mtt -63.2 -42.34 99.29 Favored 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 114.842 -1.072 . . . . 2.29 108.324 176.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -58.64 -44.46 90.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.595 0.758 . . . . 1.92 110.301 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.469 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 96.0 m -61.74 -52.46 64.17 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.406 -0.815 . . . . 1.11 109.984 177.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.46 -36.32 77.97 Favored 'General case' 0 C--O 1.203 -1.344 0 CA-C-N 116.163 -0.471 . . . . 1.07 110.984 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.16 76.06 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.642 0.777 . . . . 1.11 112.679 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.5 ptp180 -70.19 -33.62 71.95 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 119.686 -0.806 . . . . 3.14 109.255 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.3 -40.52 74.21 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.395 -0.821 . . . . 1.18 109.961 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.566 ' HA ' HG13 ' A' ' 58' ' ' VAL . 44.2 mt-10 -59.29 -46.66 87.95 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 123.119 0.568 . . . . 0.64 109.981 176.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 m -63.14 -48.53 78.08 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.015 0.822 . . . . 1.78 110.966 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -68.36 -53.74 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.502 0.556 . . . . 4.47 112.502 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -83.7 -15.78 47.45 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.492 0.923 . . . . 1.64 113.492 -172.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.19 63.31 2.18 Favored Glycine 0 C--O 1.243 0.712 0 C-N-CA 120.654 -0.784 . . . . 0.91 111.305 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.566 HG13 ' HA ' ' A' ' 53' ' ' GLU . 14.3 p -141.67 169.04 14.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 108.98 -0.748 . . . . 1.79 108.98 -177.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -134.62 121.83 21.44 Favored 'General case' 0 C--O 1.248 0.994 0 N-CA-C 109.095 -0.706 . . . . 2.04 109.095 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.528 HD13 HD13 ' A' ' 78' ' ' ILE . 64.2 mt -125.32 124.49 25.18 Favored Pre-proline 0 C--N 1.316 -0.881 0 N-CA-C 109.82 -0.437 . . . . 1.6 109.82 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.444 ' HB2' HG23 ' A' ' 64' ' ' VAL . 45.7 Cg_exo -59.33 142.73 99.5 Favored 'Trans proline' 0 C--O 1.253 1.233 0 C-N-CA 122.891 2.394 . . . . 0.8 111.43 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.451 ' O ' ' HE3' ' A' ' 46' ' ' MET . 22.3 m-20 -57.94 -46.66 84.71 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 115.663 -0.699 . . . . 2.19 111.467 -175.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -53.93 -43.13 69.51 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.511 0.507 . . . . 2.48 111.334 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' A' ' 61' ' ' PRO . 58.1 t -62.19 -55.98 20.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 114.97 -1.014 . . . . 1.31 109.799 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.404 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -59.34 -31.26 69.02 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 115.856 -0.611 . . . . 1.1 111.793 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.91 -1.68 88.77 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.519 -0.848 . . . . 0.97 113.054 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -118.2 14.83 14.0 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.993 0.738 . . . . 4.05 112.993 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.454 HG23 ' HB2' ' A' ' 74' ' ' LEU . 17.4 m -89.05 105.51 15.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 108.685 -0.857 . . . . 1.09 108.685 174.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.78 -51.22 70.47 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.262 -0.881 . . . . 1.88 111.123 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -114.51 152.44 46.16 Favored Pre-proline 0 C--N 1.312 -1.044 0 CA-C-N 115.469 -0.787 . . . . 1.09 110.931 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 42.1 Cg_exo -60.14 -23.68 74.46 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 123.641 2.894 . . . . 0.4 113.311 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.629 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.8 ttm180 -62.27 -37.43 85.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.199 0.523 . . . . 2.67 110.434 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 35.7 mt-10 -69.19 -39.55 78.61 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.284 -0.871 . . . . 2.23 110.019 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.478 HD21 HD12 ' A' ' 77' ' ' LEU . 3.0 tm? -68.19 -38.94 82.53 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.829 -0.804 . . . . 1.81 108.829 178.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.4 ' HB2' HD23 ' A' ' 10' ' ' LEU . 53.4 tp -57.94 -50.51 73.11 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 123.788 0.835 . . . . 1.25 109.387 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -59.52 -35.11 73.54 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 115.166 -0.924 . . . . 0.89 113.014 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 86.8 mt -57.34 -43.6 83.58 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.404 0.44 . . . . 1.63 110.741 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.528 HD13 HD13 ' A' ' 60' ' ' ILE . 36.0 mm -72.71 -57.13 7.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.49 -0.93 . . . . 1.29 108.49 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.455 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.0 m120 -47.5 -54.57 11.19 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.777 0.831 . . . . 1.45 112.355 -178.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.99 -47.12 86.14 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.932 -0.576 . . . . 0.5 113.441 -176.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.54 73.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.962 0.381 . . . . 1.17 111.803 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.13 -43.98 63.87 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 121.01 -0.276 . . . . 1.26 110.48 177.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.24 77.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.999 -0.546 . . . . 1.54 111.26 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.57 -16.22 62.3 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 121.34 0.59 . . . . 2.7 110.592 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.48 11.64 32.32 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.077 0.465 . . . . 2.73 110.408 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-N 116.139 -0.482 . . . . 5.02 110.226 -179.214 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . 0.533 ' H36' H282 ' A' ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 mtm . . . . . 0 CA--C 1.504 -0.8 0 N-CA-C 108.205 -1.035 . . . . 5.83 108.205 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.66 171.52 14.23 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 109.251 -0.648 . . . . 1.95 109.251 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.459 HG22 ' HD1' ' A' ' 56' ' ' TYR . 6.0 t -135.47 106.63 6.73 Favored 'General case' 0 N--CA 1.42 -1.926 0 N-CA-C 107.233 -1.395 . . . . 2.28 107.233 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 79' ' ' ASN . 69.3 mt -74.44 129.79 38.42 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.169 -0.923 . . . . 1.62 110.64 -176.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.482 HD21 ' CE2' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -71.05 147.41 48.56 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.835 -0.621 . . . . 2.09 111.301 176.132 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -102.89 -170.2 1.76 Allowed 'General case' 0 N--CA 1.411 -2.394 0 CA-C-N 115.182 -0.917 . . . . 1.41 110.843 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.61 HG21 HD21 ' A' ' 31' ' ' LEU . 26.9 m -65.46 -48.33 73.05 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 123.943 0.897 . . . . 1.31 109.356 -177.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.76 -30.89 71.79 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.003 -0.544 . . . . 2.29 111.152 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -66.81 -50.09 63.73 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 116.502 -0.317 . . . . 1.83 110.468 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 75' ' ' LEU . 48.1 tp -64.49 -36.17 83.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.01 -0.541 . . . . 1.37 110.144 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 15' ' ' VAL . 59.0 ttt180 -55.79 -57.2 13.01 Favored 'General case' 0 CA--C 1.517 -0.289 0 O-C-N 123.678 0.611 . . . . 3.48 109.542 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -60.15 -41.73 93.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.512 -0.767 . . . . 3.93 111.673 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.55 -28.79 68.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.264 -0.426 . . . . 1.23 112.145 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.579 HD23 HD22 ' A' ' 26' ' ' LEU . 34.5 tp -85.6 -23.65 27.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.521 0.677 . . . . 1.18 110.474 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 11' ' ' ARG . 57.9 t -77.51 -28.18 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.354 -0.98 . . . . 1.34 108.354 173.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.68 -39.24 90.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.753 -1.112 . . . . 2.04 109.759 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.525 ' HB3' HH22 ' A' ' 51' ' ' ARG . 1.8 p -77.3 -21.63 53.24 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.271 0.557 . . . . 1.74 111.812 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.2 -9.19 58.32 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.025 -0.534 . . . . 1.93 110.953 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.94 -60.89 2.32 Favored Glycine 0 N--CA 1.433 -1.553 0 C-N-CA 120.774 -0.726 . . . . 2.29 111.968 176.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -113.58 157.28 22.28 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.034 -0.728 . . . . 5.38 109.034 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.406 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 1.9 m -74.58 55.49 0.65 Allowed 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 125.303 1.441 . . . . 6.52 111.871 -175.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.73 -60.42 2.06 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.96 -0.462 . . . . 5.17 110.303 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.04 63.29 2.09 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 110.276 -1.13 . . . . 3.3 110.276 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 m -43.1 77.17 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 127.895 2.478 . . . . 3.12 113.753 -175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 64.59 16.2 10.15 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.954 0.902 . . . . 2.9 111.274 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.579 HD22 HD23 ' A' ' 14' ' ' LEU . 6.6 mp -79.84 25.73 0.35 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.341 1.056 . . . . 2.03 113.242 -176.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.2 m -79.66 88.12 5.17 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.09 0.472 . . . . 2.14 111.626 -176.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.04 -70.5 2.91 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.886 -0.597 . . . . 1.95 112.518 177.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -87.34 91.74 8.83 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.509 -0.552 . . . . 2.57 109.509 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.451 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 40.8 p90 -132.09 -2.29 3.6 Favored 'General case' 0 C--O 1.207 -1.142 0 C-N-CA 120.467 -0.493 . . . . 0.88 111.535 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.61 HD21 HG21 ' A' ' 7' ' ' THR . 2.4 mm? -78.2 -26.67 47.63 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.155 -0.683 . . . . 1.85 109.155 -177.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.87 -30.93 45.32 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.182 -1.372 . . . . 2.24 110.124 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.5 mt -71.69 123.73 23.2 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 108.023 -1.103 . . . . 2.26 108.023 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -78.15 158.06 29.21 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 109.36 -0.607 . . . . 3.72 109.36 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -66.97 -21.04 65.98 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.15 0.5 . . . . 0.49 110.585 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.51 -26.06 64.35 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.201 -0.909 . . . . 2.48 109.417 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -79.6 -38.7 33.34 Favored 'General case' 0 CA--C 1.505 -0.782 0 O-C-N 121.921 -0.487 . . . . 2.01 110.265 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.6 pt -98.21 11.92 5.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 113.373 0.879 . . . . 1.26 113.373 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.08 45.18 96.61 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 115.844 -0.616 . . . . 0.55 114.163 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -106.47 125.61 51.22 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 113.066 0.765 . . . . 1.7 113.066 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.533 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 35.4 t70 -90.86 165.45 13.6 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.777 -1.102 . . . . 1.89 110.9 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -58.46 -46.26 86.94 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 125.118 1.367 . . . . 0.88 110.724 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.405 ' HA ' ' SD ' ' A' ' 46' ' ' MET . 7.9 mp -67.69 -27.41 66.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.044 0.449 . . . . 2.3 111.394 -177.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.85 -37.2 62.29 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.844 -0.616 . . . . 1.17 109.503 177.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 83.9 mt -65.44 -39.18 91.76 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.677 -0.692 . . . . 1.11 110.321 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.913 ' HE2' ' HB3' ' A' ' 62' ' ' ASP . 71.3 mtp -59.09 -47.88 83.64 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.09 -0.959 . . . . 2.29 110.26 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -58.59 -43.38 89.47 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.083 -0.71 . . . . 1.92 109.083 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.569 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 72.0 m -59.83 -54.94 40.41 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.844 -1.071 . . . . 1.11 110.543 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.42 88.63 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 112.117 0.414 . . . . 1.07 112.117 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.512 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -56.65 -39.22 73.33 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.265 0.555 . . . . 1.11 111.813 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.569 ' NH2' ' HA ' ' A' ' 48' ' ' THR . 13.4 ttp-105 -64.04 -32.53 74.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.621 -0.718 . . . . 3.14 111.067 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt -79.36 -37.22 37.94 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 115.575 -0.739 . . . . 1.18 110.293 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.512 ' OE2' ' HA ' ' A' ' 50' ' ' ALA . 45.2 mt-10 -54.52 -59.33 4.83 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 123.785 0.678 . . . . 0.64 110.914 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -65.49 -24.38 67.14 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.272 -0.877 . . . . 1.78 111.991 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -81.93 -45.53 15.3 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 112.144 0.424 . . . . 4.47 112.144 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.482 ' CE2' HD21 ' A' ' 5' ' ' LEU . 97.9 m-85 -96.51 -11.9 24.85 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.39 0.515 . . . . 1.64 112.39 -175.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.47 63.41 1.56 Allowed Glycine 0 N--CA 1.433 -1.538 0 C-N-CA 120.673 -0.775 . . . . 0.91 111.816 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 p -149.29 167.59 3.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 107.518 -1.29 . . . . 1.79 107.518 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 p -141.62 121.74 13.8 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.037 0.446 . . . . 2.04 110.722 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.2 mt -126.35 125.28 24.56 Favored Pre-proline 0 C--N 1.3 -1.578 0 N-CA-C 108.791 -0.818 . . . . 1.6 108.791 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.509 ' HB2' HG23 ' A' ' 64' ' ' VAL . 93.4 Cg_exo -47.14 140.78 13.78 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.683 2.922 . . . . 0.8 113.038 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.913 ' HB3' ' HE2' ' A' ' 46' ' ' MET . 14.0 m-20 -53.24 -51.86 60.82 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 124.729 1.212 . . . . 2.19 111.893 -174.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -53.77 -44.22 69.87 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.808 0.843 . . . . 2.48 111.876 -177.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.509 HG23 ' HB2' ' A' ' 61' ' ' PRO . 63.0 t -56.55 -44.52 80.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 124.653 1.181 . . . . 1.31 111.204 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.3 -25.85 66.07 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.825 -0.625 . . . . 1.1 111.941 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.75 0.75 67.75 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.712 -0.756 . . . . 0.97 112.468 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -89.24 -4.83 58.04 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 122.17 -0.606 . . . . 4.05 111.566 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.1 m -86.71 119.88 35.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-O 121.768 0.794 . . . . 1.09 111.36 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -84.67 -34.05 23.09 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.187 -0.915 . . . . 1.88 108.856 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 p -120.83 145.05 40.41 Favored Pre-proline 0 N--CA 1.433 -1.305 0 CA-C-N 114.642 -1.163 . . . . 1.09 110.097 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 31.3 Cg_exo -62.85 -19.8 69.62 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 123.434 2.756 . . . . 0.4 111.842 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.75 -41.28 77.27 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.623 -0.717 . . . . 2.67 109.551 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 67.0 mm-40 -74.66 -39.77 61.84 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.342 -0.845 . . . . 2.23 110.82 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.16 -45.23 95.47 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 108.21 -1.033 . . . . 1.81 108.21 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.45 ' HB2' HD22 ' A' ' 10' ' ' LEU . 37.5 tp -57.65 -50.17 74.04 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 124.057 0.943 . . . . 1.25 109.025 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.57 -35.97 79.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.523 -1.217 . . . . 0.89 111.956 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 77.9 mt -56.61 -54.26 48.13 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 120.823 0.344 . . . . 1.63 110.406 177.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 39.9 mm -64.74 -51.55 65.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.488 -0.778 . . . . 1.29 109.611 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' HA ' HD23 ' A' ' 4' ' ' LEU . 13.4 m120 -52.37 -53.61 42.53 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.562 0.539 . . . . 1.45 110.868 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.08 -48.71 84.66 Favored Glycine 0 C--O 1.218 -0.888 0 CA-C-N 115.691 -0.686 . . . . 0.5 112.946 -177.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.07 -37.44 85.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.02 0.41 . . . . 1.17 111.773 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.12 -43.85 70.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.515 0.198 . . . . 1.26 110.556 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.27 -20.98 60.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.214 0.53 . . . . 1.54 111.849 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.17 -32.5 72.79 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.259 0.552 . . . . 2.7 109.95 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.65 13.37 34.99 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.602 -0.727 . . . . 2.73 109.784 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.476 0 N-CA-C 109.117 -0.698 . . . . 5.02 109.117 -179.361 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.467 ' N ' ' HA ' ' A' ' 86' ' ' ALA . 66.4 mtt . . . . . 0 CA--C 1.501 -0.928 0 N-CA-C 108.34 -0.985 . . . . 5.83 108.34 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.19 154.43 36.85 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.584 -0.895 . . . . 1.95 108.584 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 t -106.0 107.1 17.92 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 122.413 1.102 . . . . 2.28 109.388 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.95 125.52 31.49 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 114.606 -1.179 . . . . 1.62 108.371 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.98 146.36 39.63 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 110.023 -0.362 . . . . 2.09 110.023 -176.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.3 p -92.84 -170.77 2.53 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 112.85 0.685 . . . . 1.41 112.85 -172.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.4 m -59.22 -54.45 46.75 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.829 0.852 . . . . 1.31 110.226 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.417 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 24.8 t70 -66.03 -28.26 68.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.571 -0.286 . . . . 2.29 111.331 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.57 -52.17 64.45 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.604 -0.517 . . . . 1.83 109.604 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.593 HD23 ' HB2' ' A' ' 75' ' ' LEU . 57.3 tp -62.23 -41.99 98.91 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.78 -0.646 . . . . 1.37 109.47 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.739 ' HG3' ' HB2' ' A' ' 26' ' ' LEU . 41.3 ttm180 -50.78 -57.28 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.368 1.067 . . . . 3.48 110.75 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 51.5 mtt180 -68.11 -39.81 82.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.62 -0.264 . . . . 3.93 111.389 -177.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.6 73.75 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.295 0.48 . . . . 1.23 112.295 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.404 HD22 HD12 ' A' ' 26' ' ' LEU . 44.2 tp -77.01 -37.42 55.01 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.825 -0.435 . . . . 1.18 109.825 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 11' ' ' ARG . 94.8 t -62.18 -36.66 75.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 CA-C-N 116.197 -0.456 . . . . 1.34 109.83 176.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 31.5 mm-40 -56.16 -33.61 65.39 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.69 -0.687 . . . . 2.04 111.358 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 m -78.23 -25.12 46.8 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.156 0.503 . . . . 1.74 111.179 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.39 -39.55 38.76 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.24 0.543 . . . . 1.93 109.79 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.9 144.82 10.04 Favored Glycine 0 N--CA 1.43 -1.749 0 N-CA-C 109.534 -1.427 . . . . 2.29 109.534 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 63.92 -177.71 0.16 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.865 0.866 . . . . 5.38 111.56 -175.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -102.85 29.97 5.05 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.332 -1.358 . . . . 6.52 107.332 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -140.9 41.42 1.83 Allowed 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 114.421 -1.263 . . . . 5.17 107.97 -176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.9 -56.09 26.71 Favored Glycine 0 CA--C 1.509 -0.34 0 N-CA-C 111.571 -0.612 . . . . 3.3 111.571 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 t -170.03 -171.05 1.08 Allowed 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 106.096 -1.816 . . . . 3.12 106.096 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -114.4 106.23 14.05 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.788 -0.765 . . . . 2.9 110.46 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.739 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 83.7 mt -107.04 37.95 2.23 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 114.882 -1.054 . . . . 2.03 108.909 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 m -91.14 -4.43 56.18 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.485 -0.78 . . . . 2.14 111.646 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.58 -166.24 27.38 Favored Glycine 0 C--N 1.288 -2.104 0 N-CA-C 108.646 -1.782 . . . . 1.95 108.646 177.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -82.27 83.56 7.38 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.089 -1.078 . . . . 2.57 108.089 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.44 ' HA ' ' HB3' ' A' ' 33' ' ' LEU . 33.1 p90 -83.47 0.44 46.32 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 114.817 -1.083 . . . . 0.88 111.199 -175.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.511 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.6 mm? -69.27 -36.99 77.65 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.774 -0.37 . . . . 1.85 111.442 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.56 -3.3 33.68 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.288 -0.565 . . . . 2.24 110.379 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' HB3' ' HA ' ' A' ' 30' ' ' PHE . 59.7 tp -73.36 106.07 5.02 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.442 -0.948 . . . . 2.26 108.442 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -63.84 149.55 46.73 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.904 -0.589 . . . . 3.72 112.338 -171.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -66.53 -29.15 69.18 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.423 -0.808 . . . . 0.49 111.146 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.22 -25.1 66.75 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.077 0.465 . . . . 2.48 110.268 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -82.43 -37.63 25.2 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 120.86 0.362 . . . . 2.01 110.511 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.7 pt -90.05 14.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 112.653 0.612 . . . . 1.26 112.653 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.74 49.17 75.29 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.511 -0.768 . . . . 0.55 114.081 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.54 126.61 55.12 Favored 'General case' 0 N--CA 1.423 -1.784 0 N-CA-C 112.292 0.479 . . . . 1.7 112.292 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.639 ' HB3' H311 ' A' ' 87' ' ' PNS . 39.0 m-20 -97.97 174.72 6.42 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.884 -1.154 . . . . 1.89 107.884 175.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.666 ' HB3' ' HE1' ' A' ' 46' ' ' MET . 65.2 m -59.04 -39.04 80.78 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.187 1.18 . . . . 0.88 114.187 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.3 -43.12 96.58 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.603 0.594 . . . . 2.3 112.603 -177.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.36 73.82 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.145 0.498 . . . . 1.17 110.841 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 45.9 mt -72.17 -39.34 68.77 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.407 -0.59 . . . . 1.11 109.407 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.666 ' HE1' ' HB3' ' A' ' 42' ' ' SER . 60.0 mtt -65.88 -42.65 90.05 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 115.126 -0.943 . . . . 2.29 109.786 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.35 -43.56 83.57 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 121.77 0.795 . . . . 1.92 109.232 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.528 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 86.1 m -61.52 -56.18 22.81 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.974 -1.012 . . . . 1.11 110.546 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.85 90.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.61 0.243 . . . . 1.07 111.342 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.25 82.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.931 0.715 . . . . 1.11 112.931 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 48' ' ' THR . 5.3 ptp180 -69.61 -32.77 71.68 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 119.856 -0.738 . . . . 3.14 109.33 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.59 -33.73 66.93 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.435 -0.802 . . . . 1.18 110.016 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -55.3 -59.72 4.4 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 123.714 0.634 . . . . 0.64 110.034 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.2 m -61.74 -28.23 69.28 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 114.912 -1.04 . . . . 1.78 112.0 -176.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -81.12 -44.95 17.17 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.932 -0.577 . . . . 4.47 111.914 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -101.29 -9.96 20.74 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 114.318 1.229 . . . . 1.64 114.318 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.21 58.03 2.68 Favored Glycine 0 C--O 1.248 0.973 0 C-N-CA 120.521 -0.847 . . . . 0.91 112.155 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.8 p -145.54 134.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 108.537 -0.912 . . . . 1.79 108.537 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.1 m -106.07 118.74 37.41 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 120.82 0.343 . . . . 2.04 110.662 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.645 HD12 HD12 ' A' ' 78' ' ' ILE . 79.7 mt -131.78 124.67 19.94 Favored Pre-proline 0 C--N 1.31 -1.137 0 N-CA-C 108.924 -0.769 . . . . 1.6 108.924 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.571 ' HB2' HG23 ' A' ' 64' ' ' VAL . 38.4 Cg_exo -55.54 135.48 69.47 Favored 'Trans proline' 0 C--O 1.243 0.742 0 C-N-CA 123.142 2.561 . . . . 0.8 112.405 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -55.44 -38.65 69.28 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 123.839 0.855 . . . . 2.19 112.01 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -65.47 -21.32 66.63 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.728 0.299 . . . . 2.48 111.687 -176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.571 HG23 ' HB2' ' A' ' 61' ' ' PRO . 61.3 t -71.31 -35.05 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.342 0.591 . . . . 1.31 109.877 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.13 -7.85 54.07 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.956 -0.565 . . . . 1.1 111.275 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.54 18.31 55.39 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 111.252 -0.739 . . . . 0.97 111.252 177.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -114.53 -0.96 13.53 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.477 0.656 . . . . 4.05 109.849 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.493 HG22 HD23 ' A' ' 74' ' ' LEU . 26.5 m -95.21 118.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-O 121.629 0.728 . . . . 1.09 111.514 -174.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -85.91 -35.66 20.38 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.99 -1.004 . . . . 1.88 108.777 -177.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -121.5 148.22 49.61 Favored Pre-proline 0 CA--C 1.552 1.04 0 CA-C-N 115.038 -0.983 . . . . 1.09 110.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.28 -24.53 77.63 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.966 3.111 . . . . 0.4 113.351 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.511 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 41.9 ttm180 -59.03 -36.62 75.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.184 0.516 . . . . 2.67 110.133 177.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 33.8 mt-10 -72.89 -40.98 65.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.313 -0.858 . . . . 2.23 109.911 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.493 HD23 HG22 ' A' ' 68' ' ' VAL . 3.0 tm? -63.74 -41.18 98.08 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.991 -0.744 . . . . 1.81 108.991 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.593 ' HB2' HD23 ' A' ' 10' ' ' LEU . 58.5 tp -60.35 -44.31 95.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.293 -0.867 . . . . 1.25 109.626 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.7 -29.78 69.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.057 -0.974 . . . . 0.89 111.834 -177.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 85.9 mt -62.83 -50.26 71.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.98 0.419 . . . . 1.63 110.209 177.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.645 HD12 HD12 ' A' ' 60' ' ' ILE . 49.4 mm -68.75 -63.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.462 -0.79 . . . . 1.29 109.806 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.66 -33.77 74.54 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.603 -0.726 . . . . 1.45 111.945 -175.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.04 -37.96 92.28 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.484 -0.389 . . . . 0.5 112.254 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.57 -35.24 65.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.175 0.512 . . . . 1.17 109.684 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.22 -31.73 71.45 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 115.892 -0.594 . . . . 1.26 110.767 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.23 -16.86 62.87 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.816 0.446 . . . . 1.54 111.768 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -85.6 -1.92 57.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.287 -0.415 . . . . 2.7 110.778 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.64 102.14 13.91 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.316 0.579 . . . . 2.73 110.525 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.467 ' HA ' ' N ' ' A' ' 1' ' ' MET . . . . . . . . 0 N--CA 1.425 -1.724 0 N-CA-C 108.493 -0.928 . . . . 5.02 108.493 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . 0.748 H282 ' H36' ' A' ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 C--O 1.241 0.649 0 CA-C-O 120.598 0.237 . . . . 5.83 110.904 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.29 140.47 43.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.831 0.348 . . . . 1.95 110.622 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t -87.7 107.66 18.73 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 121.387 0.613 . . . . 2.28 109.836 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.29 121.52 23.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.978 -0.379 . . . . 1.62 109.978 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.634 HD21 ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -69.47 150.41 47.23 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 112.938 0.718 . . . . 2.09 112.938 178.617 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.5 p -106.05 -170.44 1.73 Allowed 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.603 -0.726 . . . . 1.41 111.88 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.5 m -66.77 -37.53 84.79 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.18 -0.674 . . . . 1.31 109.18 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 20.7 m-20 -54.92 -50.16 69.5 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 115.825 -0.625 . . . . 2.29 110.245 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.24 -47.39 70.92 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.024 -0.989 . . . . 1.83 110.488 -177.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 75' ' ' LEU . 54.5 tp -56.0 -44.09 78.3 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.754 0.658 . . . . 1.37 110.733 178.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ttp-105 -59.61 -55.32 35.98 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.803 -0.635 . . . . 3.48 110.559 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 65.3 mtt180 -59.8 -40.36 88.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.773 -0.649 . . . . 3.93 110.347 -178.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . -67.53 -42.66 82.38 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.62 0.575 . . . . 1.23 112.296 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 tp -69.52 -40.9 76.64 Favored 'General case' 0 C--N 1.309 -1.164 0 O-C-N 121.958 -0.464 . . . . 1.18 110.838 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.2 t -70.29 -17.4 20.76 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 CA-C-O 121.995 0.903 . . . . 1.34 109.769 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 33.0 tt0 -79.61 -31.56 41.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.032 -0.985 . . . . 2.04 109.101 177.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.574 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 43.8 m -64.87 -37.8 88.83 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.313 0.578 . . . . 1.74 109.807 176.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' HB2' ' HG3' ' A' ' 20' ' ' GLU . . . -73.66 -37.55 65.26 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.341 -0.845 . . . . 1.93 109.052 175.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.36 16.69 73.26 Favored Glycine 0 N--CA 1.439 -1.159 0 CA-C-N 115.119 -0.946 . . . . 2.29 110.991 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.416 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 44.8 mt-10 -81.33 -40.32 23.77 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-O 121.618 0.723 . . . . 5.38 110.055 -178.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 p 46.08 70.12 0.41 Allowed 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 113.696 -1.593 . . . . 6.52 113.062 -177.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -148.03 -48.99 0.16 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.2 -0.909 . . . . 5.17 108.792 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.45 -43.55 0.21 Allowed Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 120.196 -1.002 . . . . 3.3 112.267 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.8 m 60.2 28.58 18.17 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-O 122.193 0.997 . . . . 3.12 110.392 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.0 t70 62.41 21.21 12.42 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.881 1.273 . . . . 2.9 111.127 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.0 mt -105.37 15.9 26.48 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 115.018 -0.992 . . . . 2.03 109.835 -178.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.4 m -87.18 7.21 29.24 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 114.067 1.136 . . . . 2.14 114.067 -171.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.04 56.37 0.55 Allowed Glycine 0 C--N 1.309 -0.97 0 N-CA-C 111.249 -0.74 . . . . 1.95 111.249 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 t70 67.99 138.17 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 125.706 1.603 . . . . 2.57 110.388 -174.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.403 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 16.2 p90 -147.98 18.48 1.12 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 116.317 -0.401 . . . . 0.88 110.3 -176.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.6 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 6.5 mp -66.9 -28.4 68.28 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 114.387 1.254 . . . . 1.85 114.387 -173.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.4 11.89 18.62 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.838 0.827 . . . . 2.24 109.643 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.7 tp -90.09 102.56 15.28 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 106.569 -1.641 . . . . 2.26 106.569 176.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -57.38 150.61 17.97 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 113.302 0.853 . . . . 3.72 113.302 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.552 ' HA ' HG12 ' A' ' 38' ' ' ILE . 77.9 m-85 -71.2 -37.44 72.09 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.822 -1.081 . . . . 0.49 109.732 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.56 -31.94 73.38 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.604 -0.887 . . . . 2.48 108.604 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -81.6 -10.52 59.41 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.83 -1.077 . . . . 2.01 110.772 -176.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.552 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.8 pt -118.91 18.36 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 116.31 -0.404 . . . . 1.26 110.646 175.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.1 42.13 99.69 Favored Glycine 0 CA--C 1.525 0.68 0 CA-C-N 115.455 -0.793 . . . . 0.55 114.62 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.87 147.35 28.82 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 117.134 0.467 . . . . 1.7 110.459 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.443 ' HA ' H301 ' A' ' 87' ' ' PNS . 8.3 m-20 -96.25 148.67 22.5 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.87 -0.789 . . . . 1.89 108.87 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.49 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 48.1 m -65.12 -24.48 67.43 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.871 0.367 . . . . 0.88 111.799 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.34 -32.09 72.79 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.064 0.459 . . . . 2.3 109.829 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.29 -24.57 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.653 -0.703 . . . . 1.17 110.111 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.49 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 50.4 mt -70.82 -37.73 73.23 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.859 -0.793 . . . . 1.11 108.859 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.424 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 62.0 mtt -61.78 -44.76 96.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.634 -1.166 . . . . 2.29 108.786 176.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.0 -38.81 87.36 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.316 -0.856 . . . . 1.92 111.114 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.579 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 91.8 m -63.83 -54.56 33.16 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.744 -0.662 . . . . 1.11 110.708 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.45 78.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.65 0.262 . . . . 1.07 110.863 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.57 -38.69 85.4 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.642 0.608 . . . . 1.11 112.642 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.9 ptp180 -71.17 -24.02 62.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.598 0.713 . . . . 3.14 109.953 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -83.93 -26.51 29.26 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.529 -0.759 . . . . 1.18 111.346 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.436 ' HG3' ' HA ' ' A' ' 50' ' ' ALA . 47.4 mt-10 -53.9 -62.25 1.78 Allowed 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 123.467 0.479 . . . . 0.64 111.208 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.9 m -74.43 -23.41 58.92 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.878 -0.601 . . . . 1.78 111.46 -174.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -69.91 -36.85 75.69 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.876 -0.602 . . . . 4.47 110.333 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.634 ' CE1' HD21 ' A' ' 5' ' ' LEU . 92.4 m-85 -108.21 4.01 24.28 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.995 0.739 . . . . 1.64 112.995 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.81 22.79 71.17 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 116.258 -0.428 . . . . 0.91 113.607 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.1 m -115.46 176.52 2.27 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 C-N-CA 122.391 0.276 . . . . 1.79 110.943 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -143.59 133.31 23.78 Favored 'General case' 0 N--CA 1.426 -1.632 0 N-CA-C 109.232 -0.655 . . . . 2.04 109.232 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.647 HD11 HD11 ' A' ' 78' ' ' ILE . 59.5 mt -134.13 121.42 15.6 Favored Pre-proline 0 C--N 1.316 -0.887 0 CA-C-N 115.879 -0.601 . . . . 1.6 109.552 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -58.1 153.04 47.93 Favored 'Trans proline' 0 CA--C 1.547 1.136 0 C-N-CA 123.467 2.778 . . . . 0.8 113.604 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.85 -47.9 79.3 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.314 1.045 . . . . 2.19 112.947 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 15.5 m-20 -67.02 -17.25 64.83 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 111.927 0.343 . . . . 2.48 111.927 -175.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.403 HG11 HD13 ' A' ' 77' ' ' LEU . 61.4 t -78.97 -52.32 15.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 108.401 -0.963 . . . . 1.31 108.401 178.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 46' ' ' MET . . . -61.0 -30.78 70.49 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.364 -0.835 . . . . 1.1 111.859 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.49 5.65 82.49 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.261 -0.971 . . . . 0.97 112.892 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 37.2 ttt180 -98.29 0.63 45.97 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.443 0.64 . . . . 4.05 110.506 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.518 HG23 HD23 ' A' ' 74' ' ' LEU . 31.2 m -94.38 120.67 44.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-O 121.692 0.758 . . . . 1.09 112.331 -177.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -77.94 -41.42 36.4 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.009 -0.996 . . . . 1.88 110.38 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -119.95 146.38 41.93 Favored Pre-proline 0 N--CA 1.435 -1.187 0 CA-C-N 115.991 -0.549 . . . . 1.09 111.352 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 52.2 Cg_exo -59.73 -21.74 64.62 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.983 3.122 . . . . 0.4 113.879 -179.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.6 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 40.5 ttm180 -61.75 -32.67 72.94 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.55 -0.537 . . . . 2.67 109.55 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 59.2 mm-40 -82.06 -33.24 30.0 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.78 -0.646 . . . . 2.23 110.894 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.527 HD13 HD11 ' A' ' 10' ' ' LEU . 2.9 tm? -65.46 -39.44 92.0 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 108.33 -0.989 . . . . 1.81 108.33 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.617 ' HB2' HD22 ' A' ' 10' ' ' LEU . 48.7 tp -59.38 -48.59 81.07 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 115.234 -0.894 . . . . 1.25 108.735 175.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.26 -32.72 74.19 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 114.164 -1.38 . . . . 0.89 112.602 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 81.8 mt -58.61 -47.39 84.5 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 120.952 0.406 . . . . 1.63 110.452 177.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.647 HD11 HD11 ' A' ' 60' ' ' ILE . 41.2 mm -70.73 -50.87 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 108.935 -0.765 . . . . 1.29 108.935 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.412 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 12.3 m120 -52.41 -46.23 66.22 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.475 0.484 . . . . 1.45 111.261 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.542 ' O ' ' HG3' ' A' ' 84' ' ' GLU . . . -61.5 -47.35 91.17 Favored Glycine 0 N--CA 1.439 -1.142 0 O-C-N 123.604 0.565 . . . . 0.5 112.338 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.4 94.59 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.44 0.638 . . . . 1.17 110.536 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.616 HD23 ' HB3' ' A' ' 56' ' ' TYR . 93.0 mt -68.4 -37.1 80.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.305 -0.862 . . . . 1.26 110.47 178.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.6 -32.4 73.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.231 0.539 . . . . 1.54 110.409 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 41.3 mt-10 -76.41 -12.34 60.04 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.919 -0.582 . . . . 2.7 110.856 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.55 -7.92 30.24 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.463 -0.569 . . . . 2.73 109.463 176.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 C-N-CA 125.588 1.555 . . . . 5.02 112.523 179.061 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . 0.443 H301 ' HA ' ' A' ' 41' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 C--O 1.239 0.523 0 CA-C-O 121.094 0.473 . . . . 5.83 109.734 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.441 ' HB3' HD23 ' A' ' 82' ' ' LEU . . . -84.31 177.06 8.32 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 121.326 0.584 . . . . 1.95 111.562 -176.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 t -114.38 107.69 15.89 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 115.71 -0.677 . . . . 2.28 109.541 -178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.83 140.45 49.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.309 -0.626 . . . . 1.62 109.309 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.99 157.26 21.92 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 116.388 -0.369 . . . . 2.09 111.172 176.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.7 p -94.05 -170.84 2.4 Favored 'General case' 0 N--CA 1.428 -1.574 0 O-C-N 123.549 0.531 . . . . 1.41 111.45 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -73.99 -43.61 57.45 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 108.477 -0.934 . . . . 1.31 108.477 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 31.8 t70 -62.04 -33.62 74.72 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.92 -0.582 . . . . 2.29 110.792 178.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -72.22 -42.76 65.36 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.428 -0.509 . . . . 1.83 110.216 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.668 HD23 ' HB2' ' A' ' 75' ' ' LEU . 51.1 tp -56.96 -46.32 82.24 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.945 -0.761 . . . . 1.37 108.945 174.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 61.8 ttt180 -52.96 -51.73 60.48 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.622 -1.172 . . . . 3.48 110.984 176.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 66.9 mtp180 -57.0 -43.96 82.29 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.419 0.628 . . . . 3.93 111.413 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.461 ' HB2' HD23 ' A' ' 52' ' ' LEU . . . -71.63 -25.8 62.3 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.443 -0.799 . . . . 1.23 111.442 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.543 ' HG ' ' OH ' ' A' ' 40' ' ' TYR . 15.1 tp -81.71 -48.64 11.42 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.508 -0.553 . . . . 1.18 109.508 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG22 HD23 ' A' ' 26' ' ' LEU . 70.8 t -60.68 -17.77 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.525 0.73 . . . . 1.34 112.347 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.79 -28.14 67.35 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.866 -0.522 . . . . 2.04 109.785 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.0 p -90.27 -49.96 6.25 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 112.1 0.408 . . . . 1.74 112.1 175.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.58 95.77 4.86 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-O 122.286 1.041 . . . . 1.93 110.59 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.67 42.48 0.71 Allowed Glycine 0 C--N 1.282 -2.419 0 N-CA-C 106.467 -2.653 . . . . 2.29 106.467 175.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -102.14 -145.94 0.36 Allowed 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 113.689 -1.256 . . . . 5.38 107.706 -173.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.4 m -79.35 71.13 5.88 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-O 122.748 1.261 . . . . 6.52 109.003 176.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -147.95 -64.74 0.26 Allowed 'General case' 0 C--N 1.265 -3.069 0 CA-C-N 112.97 -1.923 . . . . 5.17 107.07 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.4 46.75 57.68 Favored Glycine 0 CA--C 1.494 -1.279 0 C-N-CA 123.938 0.78 . . . . 3.3 112.893 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.2 t -66.34 153.87 41.53 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 108.242 -1.022 . . . . 3.12 108.242 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -76.43 94.87 3.72 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 122.194 0.997 . . . . 2.9 108.91 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD23 HG22 ' A' ' 15' ' ' VAL . 18.0 tp -107.05 32.97 4.22 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 113.537 -1.665 . . . . 2.03 108.123 -172.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 m -116.33 168.42 10.15 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.465 -1.243 . . . . 2.14 108.377 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.36 -124.68 8.32 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.023 -0.608 . . . . 1.95 113.045 177.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -105.71 101.91 11.4 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 107.371 -1.344 . . . . 2.57 107.371 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.414 ' HB2' HD13 ' A' ' 33' ' ' LEU . 51.7 p90 -133.48 7.51 3.87 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.893 0.701 . . . . 0.88 112.893 -171.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.639 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 5.8 mp -67.81 -12.96 61.69 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 113.755 1.02 . . . . 1.85 113.755 -176.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -101.92 -1.31 32.28 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 111.527 0.195 . . . . 2.24 111.527 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.467 ' O ' ' HD3' ' A' ' 71' ' ' PRO . 94.5 mt -77.0 115.76 17.07 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 109.377 -0.601 . . . . 2.26 109.377 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -66.48 145.21 55.9 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 120.971 0.415 . . . . 3.72 110.661 -178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.625 ' HB3' ' HB2' ' A' ' 40' ' ' TYR . 48.2 m-85 -63.74 -24.22 67.68 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.655 -0.702 . . . . 0.49 111.438 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.54 -44.6 96.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.127 -0.488 . . . . 2.48 110.255 174.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.22 -42.67 71.99 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 116.037 -0.529 . . . . 2.01 110.053 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.488 HD12 ' CD1' ' A' ' 35' ' ' PHE . 30.9 pt -86.85 14.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 113.555 0.946 . . . . 1.26 113.555 -176.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.13 50.35 63.94 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 115.14 0.816 . . . . 0.55 115.14 173.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.625 ' HB2' ' HB3' ' A' ' 35' ' ' PHE . 13.4 m-85 -106.36 157.53 17.54 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 113.096 0.776 . . . . 1.7 113.096 178.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.461 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 9.9 t0 -115.65 159.68 21.02 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 105.754 -1.943 . . . . 1.89 105.754 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.524 ' O ' ' HG3' ' A' ' 46' ' ' MET . 19.4 m -67.68 -39.9 84.44 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 108.905 -0.776 . . . . 0.88 108.905 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.42 -31.63 71.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.005 -0.543 . . . . 2.3 109.638 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.08 -35.0 76.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 1.17 109.64 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.642 ' HB2' ' HA2' ' A' ' 66' ' ' GLY . 93.6 mt -71.65 -38.68 70.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.991 -0.549 . . . . 1.11 110.057 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.524 ' HG3' ' O ' ' A' ' 42' ' ' SER . 63.7 mtt -62.98 -43.24 99.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.396 -0.82 . . . . 2.29 109.239 176.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.9 -43.7 91.08 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.771 -0.649 . . . . 1.92 109.523 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.5 m -57.71 -51.89 67.69 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.313 -0.858 . . . . 1.11 110.748 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -65.23 -41.22 94.6 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.754 -0.203 . . . . 1.07 111.451 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -57.23 -41.4 79.46 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.599 0.592 . . . . 1.11 112.599 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -72.34 -23.88 61.21 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.966 -0.459 . . . . 3.14 111.886 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 13' ' ' ALA . 94.2 mt -82.86 -39.65 21.32 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 116.061 -0.518 . . . . 1.18 110.75 178.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' HA ' HG23 ' A' ' 58' ' ' VAL . 49.3 mt-10 -51.71 -49.76 61.83 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 122.796 0.439 . . . . 0.64 110.2 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.8 t -57.39 -43.64 83.85 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.536 -1.211 . . . . 1.78 112.239 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -77.17 -37.83 52.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.304 0.573 . . . . 4.47 111.305 -175.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.566 ' HB3' HD21 ' A' ' 82' ' ' LEU . 99.6 m-85 -95.1 -9.13 34.52 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 113.934 1.087 . . . . 1.64 113.934 -173.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.73 38.75 23.07 Favored Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 121.166 -0.54 . . . . 0.91 112.783 175.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 53' ' ' GLU . 34.3 m -115.87 175.63 2.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-O 120.845 0.355 . . . . 1.79 111.41 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -139.95 112.68 7.99 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 108.983 -0.747 . . . . 2.04 108.983 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.9 mt -127.44 122.86 22.95 Favored Pre-proline 0 C--N 1.307 -1.24 0 N-CA-C 108.506 -0.924 . . . . 1.6 108.506 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -58.53 132.76 50.24 Favored 'Trans proline' 0 C--O 1.251 1.127 0 C-N-CA 122.715 2.277 . . . . 0.8 112.717 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.519 ' O ' ' HG2' ' A' ' 46' ' ' MET . 9.5 m-20 -49.8 -50.5 44.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.532 1.133 . . . . 2.19 110.933 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.39 -30.71 63.07 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.745 0.818 . . . . 2.48 111.759 -175.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 86.3 t -79.77 -51.68 15.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 C-N-CA 123.764 0.826 . . . . 1.31 109.592 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.16 -36.4 63.32 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 123.933 0.893 . . . . 1.1 112.382 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.642 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -85.84 -8.83 78.94 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.218 -0.991 . . . . 0.97 113.463 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -100.13 14.54 30.41 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.949 0.88 . . . . 4.05 110.941 -174.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.1 m -81.43 161.17 3.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.155 -0.683 . . . . 1.09 109.155 173.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -117.25 -36.5 3.75 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.318 0.58 . . . . 1.88 111.341 -175.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 p -122.37 147.05 48.82 Favored Pre-proline 0 C--N 1.302 -1.487 0 CA-C-N 115.79 -0.641 . . . . 1.09 110.467 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.511 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 74.6 Cg_exo -53.89 -29.27 52.7 Favored 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 124.164 3.242 . . . . 0.4 113.844 -176.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.639 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 5.5 ptp180 -60.05 -35.24 74.71 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 120.694 0.283 . . . . 2.67 111.13 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.554 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 36.0 mt-10 -72.69 -36.32 67.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.091 -0.504 . . . . 2.23 110.818 -176.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.413 HD23 HD12 ' A' ' 77' ' ' LEU . 2.4 tm? -73.27 -39.0 65.74 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.077 -1.083 . . . . 1.81 108.077 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.668 ' HB2' HD23 ' A' ' 10' ' ' LEU . 46.3 tp -60.76 -47.05 88.05 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.554 -0.906 . . . . 1.25 108.554 175.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.01 -34.91 77.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.315 -1.312 . . . . 0.89 112.232 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 69.5 mt -60.12 -38.31 82.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.998 0.428 . . . . 1.63 110.553 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.2 mm -77.46 -56.92 6.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.945 -0.761 . . . . 1.29 108.945 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.423 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 14.0 m120 -51.86 -48.91 63.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.376 0.671 . . . . 1.45 111.886 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.88 -41.21 99.62 Favored Glycine 0 CA--C 1.506 -0.498 0 O-C-N 123.443 0.464 . . . . 0.5 112.828 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.44 -47.63 81.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.23 0.538 . . . . 1.17 110.039 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.566 HD21 ' HB3' ' A' ' 56' ' ' TYR . 90.7 mt -66.7 -34.93 78.94 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.39 -0.823 . . . . 1.26 111.739 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.46 -17.72 60.06 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.408 0.623 . . . . 1.54 110.775 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -81.38 -58.92 2.82 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.389 -1.337 . . . . 2.7 107.389 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -168.26 -64.79 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 107.392 -1.336 . . . . 2.73 107.392 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.868 0 C-N-CA 127.033 2.133 . . . . 5.02 106.003 178.178 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . 0.402 ' N36' H281 ' A' ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 108.455 -0.943 . . . . 5.83 108.455 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.83 161.75 38.49 Favored 'General case' 0 C--O 1.242 0.688 0 O-C-N 121.426 -0.797 . . . . 1.95 111.876 -176.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.6 m -107.62 106.08 16.25 Favored 'General case' 0 N--CA 1.425 -1.716 0 N-CA-C 108.403 -0.962 . . . . 2.28 108.403 178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 79' ' ' ASN . 72.1 mt -73.07 125.13 26.95 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 120.967 0.413 . . . . 1.62 110.403 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.568 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 3.3 pp -79.27 149.03 31.94 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 116.144 -0.48 . . . . 2.09 109.745 174.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.4 p -96.15 -170.62 2.14 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 116.263 -0.426 . . . . 1.41 110.395 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -65.46 -44.63 86.61 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.414 -0.587 . . . . 1.31 109.414 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.75 -41.05 99.03 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.858 -0.61 . . . . 2.29 111.247 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.568 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 55.4 m-20 -63.55 -42.78 98.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 110.066 -0.346 . . . . 1.83 110.066 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.46 HD23 ' HB2' ' A' ' 75' ' ' LEU . 48.5 tp -60.46 -44.52 95.78 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 123.71 0.631 . . . . 1.37 110.948 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.5 ttm105 -55.45 -52.82 62.37 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.214 0.53 . . . . 3.48 110.316 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -63.78 -39.89 95.35 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.227 -0.897 . . . . 3.93 110.712 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.04 -31.51 71.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.639 -0.71 . . . . 1.23 111.481 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.456 HD23 HD21 ' A' ' 26' ' ' LEU . 41.8 tp -78.78 -52.51 8.26 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 122.215 -0.303 . . . . 1.18 110.813 -179.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.9 t -61.17 -23.23 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 116.063 -0.517 . . . . 1.34 111.649 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -60.24 -28.08 67.74 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 122.981 0.512 . . . . 2.04 111.201 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.6 t -85.59 -29.69 23.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.218 0.532 . . . . 1.74 110.447 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.6 ' HB1' ' OH ' ' A' ' 40' ' ' TYR . . . -78.16 -51.05 10.82 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.16 -0.473 . . . . 1.93 110.889 -176.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.9 -109.49 2.81 Favored Glycine 0 N--CA 1.433 -1.566 0 N-CA-C 109.654 -1.378 . . . . 2.29 109.654 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -106.06 -29.2 10.05 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.811 0.815 . . . . 5.38 110.076 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.5 p -77.39 100.04 5.81 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-N 114.385 -1.28 . . . . 6.52 108.815 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 75.71 18.0 2.24 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 124.45 1.1 . . . . 5.17 109.365 -177.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.48 73.22 1.4 Allowed Glycine 0 CA--C 1.501 -0.828 0 CA-C-N 114.494 -1.23 . . . . 3.3 111.121 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.1 m -63.46 146.36 53.77 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 125.483 1.513 . . . . 3.12 109.912 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -50.81 -61.08 2.43 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 109.146 -0.687 . . . . 2.9 109.146 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.456 HD21 HD23 ' A' ' 14' ' ' LEU . 12.4 tp 63.54 15.96 9.25 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.369 1.068 . . . . 2.03 112.063 168.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.6 t -88.12 1.67 53.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.634 0.73 . . . . 2.14 111.924 -173.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.2 -145.8 14.95 Favored Glycine 0 C--N 1.294 -1.764 0 C-N-CA 120.394 -0.908 . . . . 1.95 111.7 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.78 90.93 5.86 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 108.177 -1.046 . . . . 2.57 108.177 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -103.69 8.58 37.38 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 115.838 -0.619 . . . . 0.88 112.174 -175.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.6 ' O ' ' HB ' ' A' ' 70' ' ' THR . 2.8 mm? -77.97 -24.39 48.09 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 120.618 -0.433 . . . . 1.85 109.961 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -101.03 -12.29 18.98 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-O 121.765 0.793 . . . . 2.24 109.785 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.8 tp -80.45 115.58 20.06 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 106.901 -1.518 . . . . 2.26 106.901 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.437 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 58.0 mtm180 -83.74 163.24 20.33 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.297 0.57 . . . . 3.72 110.826 -171.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.511 ' HA ' HG12 ' A' ' 38' ' ' ILE . 73.6 m-85 -70.18 -32.22 70.05 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.169 -0.923 . . . . 0.49 110.639 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -37.53 81.38 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.29 -1.004 . . . . 2.48 108.29 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 38.0 m-20 -71.96 -30.43 65.29 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.692 -0.686 . . . . 2.01 110.536 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.511 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -104.6 20.84 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 113.552 0.945 . . . . 1.26 113.552 -176.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.31 31.67 81.52 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 114.307 0.483 . . . . 0.55 114.307 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.6 ' OH ' ' HB1' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -102.55 122.91 45.31 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 122.452 -0.44 . . . . 1.7 111.014 -179.576 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.96 157.17 25.64 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.764 -0.653 . . . . 1.89 111.127 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 m -60.89 -34.33 74.49 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 123.651 0.78 . . . . 0.88 110.502 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.93 -34.53 78.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.837 -0.619 . . . . 2.3 110.479 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.85 -29.98 67.35 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.836 -0.62 . . . . 1.17 109.663 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -72.03 -43.43 65.0 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.039 -0.528 . . . . 1.11 110.105 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.608 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 65.2 mtt -61.68 -45.0 95.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.684 -0.689 . . . . 2.29 109.713 177.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.18 -43.19 96.04 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.334 -0.848 . . . . 1.92 109.306 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.481 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 40.7 m -61.09 -51.86 67.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 1.11 111.124 177.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.23 -32.14 72.78 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 121.122 -0.231 . . . . 1.07 111.143 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.69 94.26 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.213 0.53 . . . . 1.11 110.292 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.9 ttp-105 -60.89 -33.62 73.39 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.554 0.742 . . . . 3.14 110.254 176.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 48' ' ' THR . 86.6 mt -75.88 -38.02 58.27 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.488 -0.778 . . . . 1.18 111.122 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 48.3 mt-10 -56.11 -55.81 28.42 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.613 0.72 . . . . 0.64 110.338 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.7 p -66.11 -45.79 79.86 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 114.395 -1.275 . . . . 1.78 112.753 -174.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.83 -39.18 64.23 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 112.923 0.712 . . . . 4.47 112.923 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -96.17 -2.19 46.84 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.663 0.616 . . . . 1.64 112.663 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.74 63.71 3.23 Favored Glycine 0 C--N 1.317 -0.52 0 C-N-CA 121.225 -0.512 . . . . 0.91 112.452 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.8 p -153.09 175.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.435 -1.32 . . . . 1.79 107.435 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -140.94 136.14 31.92 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 108.267 -1.012 . . . . 2.04 108.267 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.3 mt -136.55 130.88 18.14 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 108.734 -0.839 . . . . 1.6 108.734 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.455 ' HB2' HG22 ' A' ' 64' ' ' VAL . 68.6 Cg_exo -53.77 125.5 18.84 Favored 'Trans proline' 0 C--O 1.246 0.907 0 C-N-CA 122.77 2.313 . . . . 0.8 111.768 177.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.608 ' O ' ' HG2' ' A' ' 46' ' ' MET . 5.0 p-10 -63.53 -35.95 82.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.19 -0.914 . . . . 2.19 112.604 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.05 -25.37 65.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.72 0.771 . . . . 2.48 110.628 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 61' ' ' PRO . 94.2 t -72.61 -44.45 60.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 CA-C-N 114.751 -1.113 . . . . 1.31 109.031 177.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.88 -41.33 82.31 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 115.541 -0.754 . . . . 1.1 109.196 176.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.486 ' HA3' ' HE2' ' A' ' 46' ' ' MET . . . -86.45 53.98 4.62 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.04 -0.824 . . . . 0.97 111.04 175.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -153.28 -36.8 0.1 Allowed 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 123.382 0.673 . . . . 4.05 109.707 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 73' ' ' GLU . 34.8 m -58.54 111.5 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-O 121.642 0.734 . . . . 1.09 111.79 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -73.32 -43.24 61.2 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-O 121.437 0.636 . . . . 1.88 110.174 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.6 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 36.5 p -109.57 145.63 32.34 Favored Pre-proline 0 N--CA 1.418 -2.057 0 CA-C-N 115.098 -0.955 . . . . 1.09 110.871 -177.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.82 -17.54 55.79 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.623 2.882 . . . . 0.4 112.447 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 20.3 ttm180 -62.87 -37.01 85.17 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.951 -1.129 . . . . 2.67 107.951 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.55 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 33.7 mt-10 -72.46 -36.56 68.52 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.876 -1.056 . . . . 2.23 110.324 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.89 -41.72 77.89 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.198 -1.038 . . . . 1.81 108.198 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.46 ' HB2' HD23 ' A' ' 10' ' ' LEU . 49.1 tp -60.26 -44.91 94.89 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.932 -0.766 . . . . 1.25 108.932 176.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.11 -39.78 83.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.596 -1.183 . . . . 0.89 111.587 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 81.5 mt -57.58 -51.35 69.84 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 109.912 -0.403 . . . . 1.63 109.912 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.521 HG22 ' HG ' ' A' ' 5' ' ' LEU . 42.6 mm -61.76 -59.41 4.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.859 -0.61 . . . . 1.29 110.807 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.549 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.6 m120 -56.5 -44.01 80.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.696 0.284 . . . . 1.45 111.234 -176.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.92 80.68 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 116.165 -0.47 . . . . 0.5 112.735 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.24 -36.67 79.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.809 0.304 . . . . 1.17 111.302 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.9 -19.56 65.18 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 112.247 0.462 . . . . 1.26 112.247 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.84 -22.62 59.7 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.067 0.461 . . . . 1.54 110.191 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -101.38 -21.55 14.8 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.527 0.679 . . . . 2.7 109.239 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.44 123.64 13.61 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-N 114.682 -1.144 . . . . 2.73 112.284 -178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -1.989 0 N-CA-C 105.608 -1.997 . . . . 5.02 105.608 178.491 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 109.507 -0.553 . . . . 5.83 109.507 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.26 127.54 36.74 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 112.283 0.475 . . . . 1.95 112.283 -175.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t -91.54 106.14 18.27 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 106.554 -1.647 . . . . 2.28 106.554 173.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 79' ' ' ASN . 77.9 mt -93.36 132.44 37.58 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.775 -0.578 . . . . 1.62 111.028 -175.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.418 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 2.5 pt? -70.79 151.51 44.75 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-N 115.443 -0.799 . . . . 2.09 109.109 175.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.4 p -91.08 -170.69 2.74 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 116.442 -0.345 . . . . 1.41 110.156 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.2 m -67.06 -42.37 84.88 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 109.332 -0.618 . . . . 1.31 109.332 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.576 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.9 m-20 -67.32 -29.1 68.58 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.814 -0.63 . . . . 2.29 112.332 -177.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.418 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 21.3 m-20 -65.68 -41.58 92.27 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 120.785 -0.366 . . . . 1.83 110.293 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.725 HD21 ' HB2' ' A' ' 75' ' ' LEU . 52.6 tp -67.84 -44.55 76.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.87 -0.789 . . . . 1.37 108.87 176.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 73.9 ttt180 -49.68 -56.41 10.24 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.955 1.302 . . . . 3.48 111.698 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 41.0 mtt180 -60.6 -45.83 92.52 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.666 -0.494 . . . . 3.93 109.666 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.409 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . . . -63.13 -39.12 93.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.886 . . . . 1.23 112.986 -175.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.3 tp -71.11 -47.62 57.02 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 116.246 -0.434 . . . . 1.18 110.708 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.28 -31.72 55.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.452 0.644 . . . . 1.34 109.982 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -64.07 -25.52 68.14 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.353 -0.839 . . . . 2.04 110.244 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -73.68 -15.46 61.24 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.149 -0.478 . . . . 1.74 111.996 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.18 4.55 42.06 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.871 -0.789 . . . . 1.93 108.871 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.12 -110.69 4.02 Favored Glycine 0 N--CA 1.428 -1.851 0 N-CA-C 107.963 -2.055 . . . . 2.29 107.963 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -140.52 5.26 2.01 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 122.423 1.106 . . . . 5.38 108.163 172.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 p -94.39 72.53 3.82 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 115.212 -0.904 . . . . 6.52 112.99 -174.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.7 t70 63.31 108.43 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 125.412 1.485 . . . . 5.17 114.995 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.53 33.8 4.95 Favored Glycine 0 C--N 1.294 -1.804 0 N-CA-C 106.391 -2.684 . . . . 3.3 106.391 171.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 m 71.54 159.56 0.21 Allowed 'General case' 0 C--O 1.251 1.151 0 C-N-CA 125.427 1.491 . . . . 3.12 109.476 -173.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -77.21 91.81 3.78 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 106.886 -1.524 . . . . 2.9 106.886 172.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -99.15 82.45 2.72 Favored 'General case' 0 N--CA 1.398 -3.026 0 CA-C-N 113.907 -1.497 . . . . 2.03 108.075 -169.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.9 t -140.82 139.62 34.54 Favored 'General case' 0 C--N 1.287 -2.13 0 CA-C-N 115.92 -0.582 . . . . 2.14 110.217 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.02 -143.26 16.65 Favored Glycine 0 N--CA 1.428 -1.873 0 CA-C-N 115.634 -0.712 . . . . 1.95 111.789 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -87.6 74.91 9.15 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 122.687 1.232 . . . . 2.57 110.627 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -97.91 5.36 49.04 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 114.245 -1.343 . . . . 0.88 110.763 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.727 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.4 mm? -77.28 -22.11 52.58 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.136 -0.484 . . . . 1.85 110.55 -175.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.76 -22.47 29.61 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.627 0.579 . . . . 2.24 109.839 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.41 145.25 45.97 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 115.195 -0.911 . . . . 2.26 109.227 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -89.36 146.51 24.64 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 120.116 -0.634 . . . . 3.72 110.194 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.452 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 43.6 m-85 -62.42 -30.57 71.32 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.961 0.41 . . . . 0.49 110.627 177.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.34 -37.97 87.67 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.26 -0.882 . . . . 2.48 109.191 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -74.62 -24.15 58.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.386 -0.825 . . . . 2.01 111.355 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.423 HG12 ' HA ' ' A' ' 35' ' ' PHE . 33.5 pt -103.46 18.05 4.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.104 0.478 . . . . 1.26 111.891 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.75 22.54 70.13 Favored Glycine 0 CA--C 1.525 0.675 0 CA-C-N 115.785 -0.643 . . . . 0.55 114.658 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -89.72 145.31 25.3 Favored 'General case' 0 N--CA 1.428 -1.565 0 O-C-N 122.275 -0.544 . . . . 1.7 111.521 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.513 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.7 p30 -112.58 162.62 15.46 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.738 -1.119 . . . . 1.89 110.268 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -55.81 -37.44 68.65 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 125.263 1.425 . . . . 0.88 112.295 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.03 -46.51 84.13 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.166 -0.47 . . . . 2.3 109.812 -176.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.11 -30.7 71.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.175 -0.92 . . . . 1.17 111.257 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 58.8 mt -74.06 -43.24 58.51 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.22 -0.445 . . . . 1.11 110.203 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.467 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 68.2 mtm -66.42 -39.03 88.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.9 -0.591 . . . . 2.29 109.655 178.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -57.59 -35.26 70.18 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.386 1.074 . . . . 1.92 109.257 176.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.576 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 85.2 m -72.6 -58.74 3.13 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.041 -0.981 . . . . 1.11 110.715 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.88 -43.79 66.39 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 111.978 0.362 . . . . 1.07 111.978 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.6 66.63 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.289 0.848 . . . . 1.11 113.289 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.6 ptp180 -84.53 -23.43 29.77 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.675 0.75 . . . . 3.14 109.944 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -77.54 -33.43 54.16 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.663 -0.698 . . . . 1.18 109.869 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -55.75 -53.4 57.05 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.189 -0.914 . . . . 0.64 111.792 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.4 p -67.33 -27.85 67.48 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.628 -0.715 . . . . 1.78 111.938 -176.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -82.44 -45.51 14.68 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 120.509 -0.476 . . . . 4.47 111.746 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -97.63 4.93 50.03 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 114.592 1.33 . . . . 1.64 114.592 -174.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.18 58.35 8.17 Favored Glycine 0 C--N 1.315 -0.629 0 C-N-CA 120.693 -0.765 . . . . 0.91 112.6 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.97 147.46 21.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 N-CA-C 108.486 -0.931 . . . . 1.79 108.486 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 t -118.59 113.29 21.02 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.891 -0.781 . . . . 2.04 108.891 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.505 HD11 HD12 ' A' ' 78' ' ' ILE . 72.8 mt -130.33 130.21 22.98 Favored Pre-proline 0 C--N 1.303 -1.422 0 N-CA-C 108.337 -0.986 . . . . 1.6 108.337 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -57.31 120.34 8.19 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.959 1.772 . . . . 0.8 110.039 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 46' ' ' MET . 7.8 p-10 -61.4 -23.92 66.14 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 112.179 0.437 . . . . 2.19 112.179 -175.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -57.95 -29.3 65.07 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 120.921 0.391 . . . . 2.48 111.754 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.7 t -68.89 -28.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.274 0.559 . . . . 1.31 110.313 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.92 -9.85 58.97 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-N 115.957 -0.565 . . . . 1.1 110.346 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.41 18.55 57.28 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.698 -0.961 . . . . 0.97 110.698 176.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -131.6 2.22 4.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.383 0.611 . . . . 4.05 109.4 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 m -85.54 126.64 40.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.463 0.649 . . . . 1.09 110.08 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -92.01 -39.38 11.69 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.27 -0.877 . . . . 1.88 110.656 -172.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 36.7 p -119.42 153.06 53.62 Favored Pre-proline 0 C--N 1.309 -1.177 0 CA-C-N 115.459 -0.792 . . . . 1.09 109.575 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.452 ' HG3' ' CE1' ' A' ' 35' ' ' PHE . 46.7 Cg_exo -59.56 -23.33 70.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 123.092 2.528 . . . . 0.4 112.323 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.727 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 42.7 ttm180 -60.63 -41.34 94.68 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 109.777 -0.453 . . . . 2.67 109.777 178.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.568 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 45.2 mt-10 -69.26 -38.69 78.53 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 123.341 0.401 . . . . 2.23 110.886 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.7 -42.24 95.44 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.232 -1.025 . . . . 1.81 108.232 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.725 ' HB2' HD21 ' A' ' 10' ' ' LEU . 46.0 tp -66.76 -43.03 85.18 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.455 -0.793 . . . . 1.25 109.579 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.25 -34.33 77.44 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 114.772 -1.104 . . . . 0.89 111.303 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 66.8 mt -57.48 -51.23 70.31 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.937 0.399 . . . . 1.63 110.01 175.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.505 HD12 HD11 ' A' ' 60' ' ' ILE . 31.3 mm -67.71 -57.07 10.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.47 -0.786 . . . . 1.29 109.139 -178.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.417 ' HA ' HD22 ' A' ' 4' ' ' LEU . 11.5 m120 -51.5 -49.24 62.25 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 123.433 0.458 . . . . 1.45 111.768 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.26 -47.35 88.68 Favored Glycine 0 CA--C 1.499 -0.945 0 CA-C-N 115.942 -0.572 . . . . 0.5 113.072 -176.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.19 85.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.965 0.412 . . . . 1.17 110.953 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.69 -47.66 65.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.946 -0.57 . . . . 1.26 110.791 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.17 -29.51 70.35 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.326 0.584 . . . . 1.54 111.091 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.36 -35.66 81.12 Favored 'General case' 0 C--N 1.313 -1.01 0 C-N-CA 123.806 0.842 . . . . 2.7 110.672 177.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.22 10.97 29.58 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.279 0.561 . . . . 2.73 111.296 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.075 0 N-CA-C 109.369 -0.604 . . . . 5.02 109.369 179.217 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 CA--C 1.498 -1.049 0 N-CA-C 109.559 -0.534 . . . . 5.83 109.559 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.98 153.49 38.51 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.456 -0.572 . . . . 1.95 109.456 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m -71.25 110.69 6.05 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 115.845 -0.616 . . . . 2.28 109.421 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.8 mt -60.13 120.68 10.2 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 108.746 -0.835 . . . . 1.62 108.746 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.458 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 4.5 pp -82.2 153.34 26.0 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 116.057 -0.52 . . . . 2.09 110.314 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.8 p -113.42 -168.62 1.36 Allowed 'General case' 0 N--CA 1.426 -1.634 0 N-CA-C 112.176 0.436 . . . . 1.41 112.176 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.5 m -48.96 -54.87 13.74 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 125.289 1.436 . . . . 1.31 112.452 -177.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.477 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 19.6 m-20 -70.44 -27.64 64.41 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.708 0.633 . . . . 2.29 112.708 -175.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 15.9 m-20 -63.85 -50.15 69.99 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 108.934 -0.765 . . . . 1.83 108.934 175.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.69 -46.09 91.17 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 114.956 -1.02 . . . . 1.37 109.044 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.634 ' HG3' ' HB2' ' A' ' 26' ' ' LEU . 69.0 ttt180 -45.97 -60.61 2.16 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.203 1.401 . . . . 3.48 112.126 177.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 99.3 mtt180 -59.46 -45.75 90.74 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.275 -0.421 . . . . 3.93 111.483 -176.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 16' ' ' GLU . . . -67.69 -35.95 79.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.591 -0.731 . . . . 1.23 111.15 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.501 HD13 HG21 ' A' ' 48' ' ' THR . 60.0 tp -74.66 -27.96 60.64 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 115.801 -0.636 . . . . 1.18 111.28 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 11' ' ' ARG . 85.5 t -68.95 -36.33 73.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.534 -0.913 . . . . 1.34 108.534 173.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 55.1 mt-10 -60.65 -43.99 96.93 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.027 -0.988 . . . . 2.04 112.339 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.483 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 17.7 m -57.66 -30.49 65.48 Favored 'General case' 0 C--O 1.247 0.935 0 C-N-CA 123.042 0.537 . . . . 1.74 111.748 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' ' HB2' ' A' ' 22' ' ' ASP . . . -93.26 -65.68 0.98 Allowed 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 109.605 -0.517 . . . . 1.93 109.605 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.21 -35.19 1.3 Allowed Glycine 0 CA--C 1.528 0.877 0 N-CA-C 114.574 0.59 . . . . 2.29 114.574 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -129.87 104.03 7.14 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 113.444 0.905 . . . . 5.38 113.444 -175.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 m 68.13 8.35 6.48 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 125.608 1.563 . . . . 6.52 114.371 172.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' A' ' 18' ' ' ALA . 62.0 m-20 -131.54 2.97 4.18 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.543 -0.723 . . . . 5.17 110.236 175.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.7 86.28 1.55 Allowed Glycine 0 N--CA 1.424 -2.107 0 N-CA-C 107.161 -2.376 . . . . 3.3 107.161 174.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 p -73.71 -171.14 0.98 Allowed 'General case' 0 C--N 1.29 -1.994 0 C-N-CA 123.964 0.906 . . . . 3.12 113.183 -174.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.04 -59.37 2.78 Favored 'General case' 0 CA--C 1.502 -0.881 0 N-CA-C 110.3 -0.259 . . . . 2.9 110.3 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.634 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 71.3 mt 61.73 21.83 12.5 Favored 'General case' 0 C--O 1.247 0.939 0 C-N-CA 123.963 0.905 . . . . 2.03 111.266 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 p -81.11 121.16 25.75 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 115.451 -0.795 . . . . 2.14 111.472 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.41 -104.73 2.36 Favored Glycine 0 N--CA 1.43 -1.741 0 N-CA-C 110.238 -1.145 . . . . 1.95 110.238 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -137.19 122.98 19.98 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.79 -1.189 . . . . 2.57 107.79 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.769 ' HA ' HD12 ' A' ' 33' ' ' LEU . 48.8 p90 -124.77 13.39 8.58 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.755 -0.657 . . . . 0.88 109.951 -177.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.621 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 3.2 mm? -69.88 -18.51 63.41 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 112.936 0.717 . . . . 1.85 112.936 -172.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.428 ' HB2' ' NH2' ' A' ' 72' ' ' ARG . 18.5 t70 -97.84 -10.25 25.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.296 0.569 . . . . 2.24 110.665 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 30' ' ' PHE . 8.0 mp -77.93 108.55 11.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.333 -0.394 . . . . 2.26 110.621 -177.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -57.04 141.62 45.07 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 115.781 -0.645 . . . . 3.72 111.917 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.497 ' HA ' HG12 ' A' ' 38' ' ' ILE . 59.5 m-85 -62.74 -34.71 77.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.476 -0.784 . . . . 0.49 111.661 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.59 -38.23 74.52 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.267 0.556 . . . . 2.48 110.389 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -75.24 -37.81 60.86 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.462 -0.79 . . . . 2.01 111.09 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.497 HG12 ' HA ' ' A' ' 35' ' ' PHE . 37.1 pt -88.66 21.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 112.624 0.601 . . . . 1.26 112.624 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.49 32.99 85.14 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 115.848 -0.614 . . . . 0.55 114.42 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.483 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 1.1 m-85 -102.01 146.12 28.34 Favored 'General case' 0 N--CA 1.416 -2.173 0 N-CA-C 113.67 0.989 . . . . 1.7 113.67 -178.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.547 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 23.0 m-20 -107.58 160.37 15.73 Favored 'General case' 0 CA--C 1.482 -1.639 0 CA-C-N 114.332 -1.304 . . . . 1.89 109.344 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 m -66.74 -37.2 84.19 Favored 'General case' 0 C--N 1.289 -2.037 0 CA-C-N 115.692 -0.686 . . . . 0.88 111.274 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.426 HD12 ' SD ' ' A' ' 46' ' ' MET . 3.9 mm? -68.25 -28.71 67.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.657 0.741 . . . . 2.3 109.707 176.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.54 -25.19 49.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.268 -0.878 . . . . 1.17 109.699 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 84.7 mt -73.9 -36.26 64.75 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 116.049 -0.523 . . . . 1.11 110.021 176.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.47 ' HE1' ' O ' ' A' ' 62' ' ' ASP . 57.8 mtt -64.45 -41.13 96.72 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.615 -0.883 . . . . 2.29 108.615 175.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -60.06 -32.1 70.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.23 1.012 . . . . 1.92 110.408 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.518 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 85.2 m -78.48 -45.54 21.84 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.608 -0.724 . . . . 1.11 110.665 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -64.62 -46.61 81.89 Favored 'General case' 0 C--N 1.312 -1.022 0 O-C-N 122.261 -0.274 . . . . 1.07 111.026 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.69 -37.01 70.29 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.488 0.921 . . . . 1.11 113.488 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 48' ' ' THR . 3.6 ptm85 -67.87 -30.26 69.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.529 0.681 . . . . 3.14 109.974 -178.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.405 HD21 HD23 ' A' ' 5' ' ' LEU . 72.9 mt -83.79 -36.03 23.85 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.444 -0.798 . . . . 1.18 109.266 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 43.6 mt-10 -57.48 -54.34 47.97 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.363 -0.835 . . . . 0.64 109.914 176.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.6 t -61.66 -22.82 65.63 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.863 -1.062 . . . . 1.78 111.139 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -85.61 -54.37 4.59 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 120.796 -0.362 . . . . 4.47 111.678 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.446 ' CE2' HD22 ' A' ' 5' ' ' LEU . 92.1 m-85 -101.05 -12.86 18.52 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 115.003 1.483 . . . . 1.64 115.003 -171.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.87 35.7 8.94 Favored Glycine 0 C--N 1.315 -0.618 0 C-N-CA 119.998 -1.096 . . . . 0.91 113.068 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.502 ' HB ' HD22 ' A' ' 82' ' ' LEU . 3.7 p -102.29 134.42 43.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 107.665 -1.235 . . . . 1.79 107.665 176.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.7 p -102.17 109.91 21.74 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 118.539 0.609 . . . . 2.04 111.17 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.9 mt -118.52 108.26 41.76 Favored Pre-proline 0 C--N 1.305 -1.328 0 N-CA-C 110.002 -0.37 . . . . 1.6 110.002 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.486 ' HD2' HG23 ' A' ' 64' ' ' VAL . 50.9 Cg_exo -57.58 154.01 38.94 Favored 'Trans proline' 0 C--O 1.253 1.246 0 C-N-CA 122.578 2.186 . . . . 0.8 111.479 176.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.47 ' O ' ' HE1' ' A' ' 46' ' ' MET . 36.6 m-20 -59.69 -42.11 92.22 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.552 -0.749 . . . . 2.19 110.563 -175.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -55.29 -45.7 76.22 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 115.753 -0.658 . . . . 2.48 110.89 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.486 HG23 ' HD2' ' A' ' 61' ' ' PRO . 53.6 t -59.91 -58.86 5.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.222 -0.899 . . . . 1.31 109.91 -178.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -59.08 -33.77 71.2 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.442 -0.799 . . . . 1.1 112.069 -177.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.89 -7.09 88.96 Favored Glycine 0 C--N 1.316 -0.53 0 C-N-CA 120.6 -0.809 . . . . 0.97 113.663 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -106.14 -0.25 24.83 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 113.642 0.979 . . . . 4.05 113.642 -177.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 65' ' ' ALA . 27.8 m -79.33 131.92 33.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 C-N-CA 120.082 -0.647 . . . . 1.09 110.601 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -95.69 -39.6 9.8 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.459 0.647 . . . . 1.88 110.542 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.6 p -116.46 146.59 37.8 Favored Pre-proline 0 C--N 1.297 -1.683 0 CA-C-N 115.62 -0.718 . . . . 1.09 110.686 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.621 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 51.4 Cg_exo -58.21 -24.84 69.12 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.529 2.819 . . . . 0.4 112.562 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.428 ' NH2' ' HB2' ' A' ' 32' ' ' ASP . 44.4 ttm180 -56.8 -39.08 73.49 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.538 0.735 . . . . 2.67 109.778 176.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.612 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 38.3 mt-10 -70.81 -43.89 67.68 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.296 -0.865 . . . . 2.23 110.551 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.37 -43.97 92.84 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.426 -0.953 . . . . 1.81 108.426 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.25 -39.51 94.8 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.705 -0.68 . . . . 1.25 109.905 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.59 -38.42 90.95 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.424 -0.807 . . . . 0.89 110.823 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 97.6 mt -57.74 -46.08 84.97 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.192 0.597 . . . . 1.63 109.994 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.447 HG21 ' HG ' ' A' ' 5' ' ' LEU . 49.8 mm -65.45 -62.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 114.972 -1.013 . . . . 1.29 109.445 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -52.82 -47.04 67.94 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.655 -0.702 . . . . 1.45 112.161 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.62 -47.07 92.04 Favored Glycine 0 N--CA 1.446 -0.65 0 O-C-N 123.442 0.464 . . . . 0.5 113.452 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.431 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -72.03 -36.81 69.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.046 0.45 . . . . 1.17 111.597 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.502 HD22 ' HB ' ' A' ' 58' ' ' VAL . 84.4 mt -74.75 -17.58 60.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.406 -0.361 . . . . 1.26 111.043 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.95 -20.89 60.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.454 0.645 . . . . 1.54 109.655 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -86.72 -68.27 0.76 Allowed 'General case' 0 N--CA 1.436 -1.17 0 N-CA-C 108.488 -0.93 . . . . 2.7 108.488 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 170.07 -63.35 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 125.907 1.683 . . . . 2.73 106.497 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.617 0 N-CA-C 106.522 -1.658 . . . . 5.02 106.522 178.79 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 ttp . . . . . 0 C--O 1.239 0.549 0 CA-C-O 120.556 0.217 . . . . 5.83 110.469 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.75 139.1 58.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 116.128 -0.487 . . . . 1.95 111.221 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.2 p -78.31 107.29 10.82 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-N 115.493 -0.776 . . . . 2.28 109.543 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 79' ' ' ASN . 22.9 mt -63.42 119.81 10.44 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.038 -1.097 . . . . 1.62 108.038 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.524 ' HG ' ' OD1' ' A' ' 79' ' ' ASN . 4.4 pp -62.9 140.23 58.8 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 123.629 0.581 . . . . 2.09 110.56 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -85.1 -174.91 5.51 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 116.132 -0.486 . . . . 1.41 110.683 -177.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -68.03 -32.26 72.5 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 108.835 -0.802 . . . . 1.31 108.835 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.95 -42.84 76.12 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.564 -0.744 . . . . 2.29 110.181 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.455 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 30.2 m-20 -63.98 -43.65 95.09 Favored 'General case' 0 CA--C 1.495 -1.16 0 CA-C-N 115.82 -0.627 . . . . 1.83 110.448 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.678 HD23 ' HB2' ' A' ' 75' ' ' LEU . 59.2 tp -62.35 -46.64 87.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.573 -0.74 . . . . 1.37 109.523 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.404 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.0 ttp180 -53.95 -56.95 13.11 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.445 -0.798 . . . . 3.48 111.669 179.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -58.93 -34.45 71.75 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.71 0.633 . . . . 3.93 112.71 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HB1' ' HD2' ' A' ' 51' ' ' ARG . . . -76.24 -34.46 59.2 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.18 0.514 . . . . 1.23 111.623 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD23 HD23 ' A' ' 26' ' ' LEU . 55.0 tp -79.73 -32.87 41.18 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 120.958 0.409 . . . . 1.18 109.989 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 11' ' ' ARG . 88.9 t -67.91 -29.86 46.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 109.249 -0.649 . . . . 1.34 109.249 174.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -57.32 -53.22 60.57 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.44 0.696 . . . . 2.04 110.431 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.569 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 5.1 m -68.14 -35.85 78.75 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.973 0.416 . . . . 1.74 110.262 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.92 -19.76 65.98 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 123.673 0.789 . . . . 1.93 112.933 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.96 -32.01 82.75 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.141 -0.552 . . . . 2.29 113.323 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -96.7 9.73 40.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.303 0.573 . . . . 5.38 110.354 -178.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -143.89 -145.89 0.18 Allowed 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.518 -0.919 . . . . 6.52 108.518 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -94.39 165.11 12.73 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.403 -0.592 . . . . 5.17 109.403 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.61 -147.4 5.46 Favored Glycine 0 N--CA 1.402 -3.596 0 N-CA-C 108.329 -1.908 . . . . 3.3 108.329 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.9 t 178.08 -156.53 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 107.725 -1.213 . . . . 3.12 107.725 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -82.3 107.51 15.04 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 106.419 -1.697 . . . . 2.9 106.419 175.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 HD23 HD23 ' A' ' 14' ' ' LEU . 22.1 tp -111.8 26.34 10.72 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-O 121.717 0.77 . . . . 2.03 109.781 -171.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.4 t -105.97 159.29 16.16 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.239 -1.023 . . . . 2.14 108.239 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.79 -115.21 4.01 Favored Glycine 0 N--CA 1.439 -1.1 0 C-N-CA 120.484 -0.865 . . . . 1.95 113.322 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -104.34 117.44 34.2 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 109.736 -0.468 . . . . 2.57 109.736 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -156.83 8.49 0.19 Allowed 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 120.36 -0.536 . . . . 0.88 112.414 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.719 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.9 mm? -78.73 -21.37 48.13 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.278 -0.569 . . . . 1.85 111.902 -173.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -102.73 -7.31 21.79 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-O 121.477 0.656 . . . . 2.24 110.902 -177.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt -75.91 133.15 40.59 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.457 -0.942 . . . . 2.26 108.457 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -75.74 150.86 37.73 Favored 'General case' 0 C--N 1.298 -1.674 0 C-N-CA 120.844 -0.343 . . . . 3.72 110.765 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.45 ' HD1' HD12 ' A' ' 38' ' ' ILE . 59.0 m-85 -65.41 -26.76 68.13 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.497 -0.32 . . . . 0.49 111.11 177.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.13 -34.61 73.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.214 0.53 . . . . 2.48 109.937 175.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.27 -41.27 66.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.084 0.469 . . . . 2.01 110.626 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.45 HD12 ' HD1' ' A' ' 35' ' ' PHE . 31.8 pt -85.16 3.41 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.32 0.581 . . . . 1.26 111.87 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.32 47.24 72.66 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.319 -0.855 . . . . 0.55 113.122 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.569 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 0.2 OUTLIER -99.3 142.47 30.75 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 110.072 -0.344 . . . . 1.7 110.072 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -95.09 162.86 13.54 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.209 -1.034 . . . . 1.89 108.209 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 46' ' ' MET . 14.0 m -70.58 -36.89 73.82 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 122.925 0.49 . . . . 0.88 110.619 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.9 -30.73 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.899 -0.778 . . . . 2.3 108.899 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.1 -37.03 83.22 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.103 -0.953 . . . . 1.17 109.761 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.99 -40.44 83.09 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 116.016 -0.538 . . . . 1.11 110.059 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.523 ' SD ' ' HB3' ' A' ' 62' ' ' ASP . 64.7 mtt -63.86 -35.37 80.4 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.441 -0.8 . . . . 2.29 110.537 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.36 -41.91 69.13 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 109.247 -0.649 . . . . 1.92 109.247 176.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.54 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 89.9 m -60.48 -47.43 86.18 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.445 -0.798 . . . . 1.11 110.547 178.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.39 85.49 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.023 0.44 . . . . 1.07 110.273 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -66.04 -37.89 87.0 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 115.805 -0.634 . . . . 1.11 112.652 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.8 ptp180 -67.3 -31.08 71.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.046 -0.661 . . . . 3.14 109.331 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.403 ' CD1' HG13 ' A' ' 78' ' ' ILE . 99.0 mt -72.64 -34.04 67.03 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.286 -0.87 . . . . 1.18 110.191 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.477 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 45.2 mt-10 -59.11 -53.76 54.72 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.972 -0.751 . . . . 0.64 108.972 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 t -65.55 -23.85 66.96 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 113.989 -1.459 . . . . 1.78 111.425 -175.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -89.73 -53.44 4.51 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.305 -0.407 . . . . 4.47 111.799 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -90.14 -16.7 29.05 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 114.027 1.121 . . . . 1.64 114.027 -171.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.24 68.9 1.21 Allowed Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.007 -1.092 . . . . 0.91 112.711 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.53 ' HB ' HD22 ' A' ' 82' ' ' LEU . 9.6 p -153.61 168.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.524 -1.287 . . . . 1.79 107.524 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.477 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 52.8 m -137.0 115.54 11.95 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-O 121.337 0.589 . . . . 2.04 109.525 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.579 HD11 HD13 ' A' ' 78' ' ' ILE . 71.9 mt -131.32 121.49 18.54 Favored Pre-proline 0 C--N 1.308 -1.205 0 CA-C-N 115.333 -0.848 . . . . 1.6 109.332 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -55.91 141.9 85.18 Favored 'Trans proline' 0 C--O 1.244 0.782 0 C-N-CA 123.239 2.626 . . . . 0.8 112.661 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.523 ' HB3' ' SD ' ' A' ' 46' ' ' MET . 4.7 m-20 -53.27 -42.88 66.98 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.013 0.925 . . . . 2.19 111.232 -178.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -61.46 -16.77 50.31 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.107 0.78 . . . . 2.48 113.107 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.4 t -78.81 -32.07 15.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.671 0.748 . . . . 1.31 109.507 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.95 -1.56 29.29 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.532 -0.758 . . . . 1.1 110.955 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.8 -7.13 81.78 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 110.886 -0.886 . . . . 0.97 110.886 176.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 48.5 mtm105 -105.24 -0.9 25.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.301 0.482 . . . . 4.05 112.301 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m -91.77 104.44 15.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 108.588 -0.893 . . . . 1.09 108.588 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -85.06 -30.18 24.31 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.334 -0.848 . . . . 1.88 111.769 -174.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.8 p -124.41 154.21 69.25 Favored Pre-proline 0 N--CA 1.433 -1.297 0 N-CA-C 109.201 -0.666 . . . . 1.09 109.201 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.63 -27.06 81.67 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 123.424 2.749 . . . . 0.4 113.528 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.719 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 35.6 ttm105 -59.41 -43.67 92.96 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 109.455 -0.572 . . . . 2.67 109.455 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.42 -40.54 85.54 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 114.48 -1.236 . . . . 2.23 109.639 -177.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.69 -43.63 96.08 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.571 -0.9 . . . . 1.81 108.571 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.678 ' HB2' HD23 ' A' ' 10' ' ' LEU . 5.0 tt -59.13 -51.13 71.36 Favored 'General case' 0 C--O 1.246 0.89 0 N-CA-C 108.495 -0.928 . . . . 1.25 108.495 178.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.6 -38.69 91.13 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.298 -1.319 . . . . 0.89 111.187 -177.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.49 -50.11 74.92 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 123.136 0.575 . . . . 1.63 111.262 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.579 HD13 HD11 ' A' ' 60' ' ' ILE . 47.8 mm -65.26 -60.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.243 -0.435 . . . . 1.29 110.527 -178.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.524 ' OD1' ' HG ' ' A' ' 5' ' ' LEU . 80.4 m-20 -63.63 -34.56 78.1 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 112.434 0.531 . . . . 1.45 112.434 -175.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.518 ' O ' ' HB2' ' A' ' 84' ' ' GLU . . . -60.7 -41.35 98.96 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 111.273 -0.731 . . . . 0.5 111.273 178.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.28 -35.6 66.18 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 123.774 0.338 . . . . 1.17 110.393 178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.53 HD22 ' HB ' ' A' ' 58' ' ' VAL . 89.7 mt -58.46 -43.15 88.75 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.378 0.609 . . . . 1.26 110.914 176.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.01 -2.92 58.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.677 -0.692 . . . . 1.54 111.22 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' ' 80' ' ' GLY . 9.7 tp10 -94.13 -56.44 2.85 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.919 -0.771 . . . . 2.7 108.919 -178.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.27 -48.12 68.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.324 -0.853 . . . . 2.73 110.983 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.263 0 CA-C-N 115.85 -0.614 . . . . 5.02 109.67 -179.29 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 112.533 0.568 . . . . 5.83 112.533 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.3 149.67 24.09 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-O 121.012 0.435 . . . . 1.95 111.147 -172.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 t -78.93 107.5 11.71 Favored 'General case' 0 N--CA 1.415 -2.223 0 CA-C-N 115.192 -0.913 . . . . 2.28 108.837 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.42 125.04 25.48 Favored 'General case' 0 N--CA 1.425 -1.712 0 N-CA-C 108.097 -1.075 . . . . 1.62 108.097 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -64.44 142.48 58.41 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.757 -0.656 . . . . 2.09 110.067 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.5 p -88.39 -170.86 3.12 Favored 'General case' 0 N--CA 1.411 -2.378 0 CA-C-N 116.184 -0.462 . . . . 1.41 110.002 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -71.38 -13.51 61.88 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.115 0.483 . . . . 1.31 110.953 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.91 -49.08 76.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 123.747 0.819 . . . . 2.29 110.294 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.528 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 14.2 m-20 -69.2 -38.34 78.57 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 115.679 -0.691 . . . . 1.83 110.401 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 75' ' ' LEU . 40.8 tp -60.76 -47.09 87.86 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.148 -0.686 . . . . 1.37 109.148 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -54.78 -61.71 2.13 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.531 1.132 . . . . 3.48 110.762 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.528 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 14.6 ptm180 -59.75 -35.8 75.32 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 112.172 0.434 . . . . 3.93 112.172 -176.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . . . -71.44 -40.75 70.19 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.223 0.535 . . . . 1.23 111.319 -178.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.6 tp -72.72 -39.36 67.01 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.933 -0.576 . . . . 1.18 110.499 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.1 t -63.94 -44.14 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.973 -0.751 . . . . 1.34 108.973 175.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 35.7 tt0 -62.57 -19.31 63.57 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.564 0.746 . . . . 2.04 111.93 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.7 m -75.19 -5.51 44.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.203 0.525 . . . . 1.74 110.935 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.56 -34.25 3.09 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.739 -0.837 . . . . 1.93 108.739 173.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.41 -80.23 1.83 Allowed Glycine 0 CA--C 1.496 -1.141 0 N-CA-C 109.388 -1.485 . . . . 2.29 109.388 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -109.39 167.97 9.73 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 107.148 -1.427 . . . . 5.38 107.148 173.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p 52.36 61.89 2.97 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.977 0.894 . . . . 6.52 111.391 -175.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -71.74 -170.68 0.58 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.841 -1.072 . . . . 5.17 111.833 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.62 -127.25 0.06 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 114.437 0.535 . . . . 3.3 114.437 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 t -152.13 108.8 3.47 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.928 -0.767 . . . . 3.12 108.928 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 63.02 34.81 13.61 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.504 1.122 . . . . 2.9 109.221 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 tp -82.1 32.88 0.38 Allowed 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 114.825 -1.08 . . . . 2.03 111.137 -173.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.8 m -147.81 109.16 4.32 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.552 -0.907 . . . . 2.14 108.552 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.06 -130.62 6.72 Favored Glycine 0 N--CA 1.433 -1.506 0 N-CA-C 109.56 -1.416 . . . . 1.95 109.56 -175.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -89.39 98.49 11.79 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 122.058 0.932 . . . . 2.57 109.746 176.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.9 ' HA ' HD12 ' A' ' 33' ' ' LEU . 54.3 p90 -134.27 14.64 3.82 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.141 -0.936 . . . . 0.88 111.142 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.528 ' O ' ' HB ' ' A' ' 70' ' ' THR . 5.6 mp -67.79 -26.56 66.15 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.208 0.818 . . . . 1.85 113.208 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -101.15 -0.93 35.18 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.644 0.735 . . . . 2.24 110.952 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 30' ' ' PHE . 9.8 mp -77.81 99.54 5.96 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.577 -0.527 . . . . 2.26 109.577 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -51.03 140.17 16.25 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.63 0.772 . . . . 3.72 111.911 -178.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.594 ' HA ' HG12 ' A' ' 38' ' ' ILE . 64.7 m-85 -64.22 -31.63 72.91 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.156 -0.475 . . . . 0.49 109.752 177.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.38 -24.82 68.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.816 -1.083 . . . . 2.48 110.226 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -88.84 -36.7 15.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.107 -0.497 . . . . 2.01 110.665 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.594 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.7 pt -86.13 4.81 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.642 0.608 . . . . 1.26 112.642 -178.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.67 25.2 54.22 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.249 -0.5 . . . . 0.55 114.116 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.43 136.41 39.41 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 122.326 -0.514 . . . . 1.7 111.138 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.647 ' HB3' ' H32' ' A' ' 87' ' ' PNS . 7.1 m-20 -89.35 145.99 24.98 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.76 -1.2 . . . . 1.89 107.76 177.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.831 ' H ' H282 ' A' ' 87' ' ' PNS . 14.7 m -63.18 -20.5 65.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.532 0.682 . . . . 0.88 111.128 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 tt -72.08 -33.45 67.91 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.497 -0.927 . . . . 2.3 108.497 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.76 -28.24 58.38 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.044 0.449 . . . . 1.17 109.979 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.437 HD13 HG21 ' A' ' 68' ' ' VAL . 80.8 mt -64.32 -30.89 71.93 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 115.407 -0.815 . . . . 1.11 110.316 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.523 ' SD ' ' HB3' ' A' ' 62' ' ' ASP . 58.9 mtt -62.95 -37.95 89.1 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.716 -1.129 . . . . 2.29 109.172 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -72.32 -35.58 68.66 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.934 -0.765 . . . . 1.92 108.934 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.554 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 22.1 m -59.51 -52.71 64.39 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.548 -0.751 . . . . 1.11 109.206 176.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.15 90.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.172 -0.467 . . . . 1.07 110.833 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.634 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -55.58 -42.85 75.33 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.237 0.615 . . . . 1.11 112.361 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 48' ' ' THR . 8.6 ptp180 -72.26 -27.96 62.82 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.102 -0.639 . . . . 3.14 110.286 -178.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.597 ' HA ' ' HB3' ' A' ' 55' ' ' ARG . 95.4 mt -75.18 -26.78 59.32 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.271 -0.422 . . . . 1.18 110.892 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.634 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 47.2 mt-10 -58.38 -50.31 74.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.64 109.929 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -77.39 -23.76 50.65 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.699 -0.682 . . . . 1.78 110.971 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.597 ' HB3' ' HA ' ' A' ' 52' ' ' LEU . 29.5 tpt180 -68.96 -42.89 76.03 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.228 0.611 . . . . 4.47 111.015 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.41 ' CD1' ' HG3' ' A' ' 55' ' ' ARG . 61.5 m-85 -117.21 3.11 12.64 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.004 1.483 . . . . 1.64 115.004 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.17 57.89 4.97 Favored Glycine 0 C--N 1.311 -0.819 0 C-N-CA 120.333 -0.937 . . . . 0.91 112.025 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.2 p -141.02 173.8 8.63 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 N-CA-C 107.973 -1.121 . . . . 1.79 107.973 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.9 m -138.38 126.22 22.42 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 123.112 0.565 . . . . 2.04 109.607 175.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.634 HD11 HD13 ' A' ' 78' ' ' ILE . 57.5 mt -134.56 120.59 14.66 Favored Pre-proline 0 C--N 1.305 -1.348 0 N-CA-C 109.294 -0.632 . . . . 1.6 109.294 -178.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.439 ' HB2' HG21 ' A' ' 64' ' ' VAL . 51.6 Cg_exo -56.46 146.05 76.38 Favored 'Trans proline' 0 C--O 1.251 1.163 0 C-N-CA 123.457 2.771 . . . . 0.8 113.228 -178.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.523 ' HB3' ' SD ' ' A' ' 46' ' ' MET . 7.6 m-20 -56.07 -44.87 79.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.89 -1.05 . . . . 2.19 110.187 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.567 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 6.2 t70 -52.94 -42.68 65.67 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.828 -0.623 . . . . 2.48 112.143 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 61' ' ' PRO . 90.4 t -62.57 -51.2 75.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 C-N-CA 123.195 0.598 . . . . 1.31 110.297 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.483 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -64.76 -30.63 71.64 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.639 -0.71 . . . . 1.1 110.983 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.03 26.2 4.42 Favored Glycine 0 C--N 1.314 -0.684 0 C-N-CA 121.361 -0.447 . . . . 0.97 113.235 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 95.8 mtt180 -128.96 -12.06 4.73 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.373 -0.487 . . . . 4.05 110.897 177.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 65' ' ' ALA . 22.1 m -75.64 120.21 25.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 113.005 0.743 . . . . 1.09 113.005 -173.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.38 -54.0 24.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.45 -1.25 . . . . 1.88 111.598 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.528 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 59.6 p -122.81 160.84 47.29 Favored Pre-proline 0 N--CA 1.436 -1.166 0 CA-C-N 115.395 -0.82 . . . . 1.09 110.305 -174.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.76 -24.77 73.09 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 123.46 2.773 . . . . 0.4 112.61 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.495 ' HA ' ' HG ' ' A' ' 31' ' ' LEU . 31.0 ttm105 -58.52 -44.82 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.844 -0.799 . . . . 2.67 108.844 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 7.7 mm-40 -68.16 -38.29 81.92 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 114.793 -1.094 . . . . 2.23 109.716 -176.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.33 -44.22 79.63 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.537 -0.912 . . . . 1.81 108.537 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.525 ' HB2' HD21 ' A' ' 10' ' ' LEU . 50.0 tp -61.55 -42.21 98.49 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.307 -0.627 . . . . 1.25 109.307 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.54 -37.35 75.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.495 -1.23 . . . . 0.89 111.164 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 87.9 mt -59.95 -50.75 72.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.099 0.476 . . . . 1.63 110.382 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.634 HD13 HD11 ' A' ' 60' ' ' ILE . 21.1 mm -66.66 -46.99 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.009 -0.737 . . . . 1.29 109.009 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -54.71 -51.3 66.0 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.935 -0.575 . . . . 1.45 111.223 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.76 -47.8 88.04 Favored Glycine 0 N--CA 1.449 -0.464 0 O-C-N 123.694 0.621 . . . . 0.5 112.694 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.81 80.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.875 0.369 . . . . 1.17 111.898 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.2 mt -79.14 -24.34 43.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.487 -0.324 . . . . 1.26 111.545 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.47 -47.54 14.16 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.87 0.367 . . . . 1.54 110.681 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.81 -26.73 59.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.16 -0.473 . . . . 2.7 110.344 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 69.64 88.34 0.11 Allowed 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 124.863 1.265 . . . . 2.73 110.415 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.692 0 CA-C-N 115.329 -0.851 . . . . 5.02 108.863 178.093 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . 0.831 H282 ' H ' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.491 ' SD ' ' HB2' ' A' ' 86' ' ' ALA . 49.6 ttm . . . . . 0 C--O 1.239 0.503 0 N-CA-C 109.287 -0.634 . . . . 5.83 109.287 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.57 159.98 22.6 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.175 -1.046 . . . . 1.95 108.175 178.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 t -90.63 106.22 18.35 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 122.159 0.98 . . . . 2.28 110.111 -176.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 79' ' ' ASN . 81.3 mt -79.95 155.53 27.65 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.772 -0.649 . . . . 1.62 109.49 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.555 ' HG ' HG22 ' A' ' 78' ' ' ILE . 77.8 mt -76.05 144.71 40.62 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 110.019 -0.363 . . . . 2.09 110.019 -178.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 p -84.87 -177.72 6.65 Favored 'General case' 0 N--CA 1.414 -2.253 0 N-CA-C 108.342 -0.984 . . . . 1.41 108.342 170.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.467 HG23 HD22 ' A' ' 31' ' ' LEU . 26.1 m -69.76 -47.41 63.08 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.263 -1.014 . . . . 1.31 108.263 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.559 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 2.1 p-10 -68.4 -33.32 74.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.565 -0.743 . . . . 2.29 111.624 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.8 -45.54 81.98 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.757 -0.46 . . . . 1.83 109.757 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.56 HD23 ' HB2' ' A' ' 75' ' ' LEU . 61.6 tp -61.8 -44.94 95.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.309 -0.86 . . . . 1.37 109.539 177.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.9 ttm180 -53.25 -55.24 26.09 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 115.331 -0.849 . . . . 3.48 110.702 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 42.1 mtp85 -61.64 -42.31 98.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.04 -0.527 . . . . 3.93 111.255 -176.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.81 98.65 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.597 0.713 . . . . 1.23 110.67 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.579 HD13 HG23 ' A' ' 48' ' ' THR . 62.6 tp -75.28 -19.25 59.8 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.208 -0.906 . . . . 1.18 111.442 -178.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 11' ' ' ARG . 60.6 t -77.36 -54.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.609 -1.256 . . . . 1.34 107.609 172.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' OE2' ' HB3' ' A' ' 20' ' ' GLU . 61.2 mm-40 -56.77 -20.02 20.06 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.069 1.137 . . . . 2.04 114.069 -176.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.1 m -63.34 -48.91 76.02 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 109.748 -0.464 . . . . 1.74 109.748 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.42 -29.0 26.49 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.752 -0.462 . . . . 1.93 109.752 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.81 146.17 5.69 Favored Glycine 0 N--CA 1.433 -1.5 0 N-CA-C 110.571 -1.012 . . . . 2.29 110.571 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HB3' ' OE2' ' A' ' 16' ' ' GLU . 8.1 pt-20 -55.73 99.14 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.963 0.887 . . . . 5.38 112.819 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.0 m 67.5 16.25 9.93 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 122.327 1.06 . . . . 6.52 110.518 -177.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -89.93 -27.85 19.56 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 108.383 -0.969 . . . . 5.17 108.383 176.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.68 -75.92 0.82 Allowed Glycine 0 N--CA 1.438 -1.225 0 CA-C-N 114.848 -1.069 . . . . 3.3 111.465 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.6 t -169.01 -169.14 0.93 Allowed 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 106.45 -1.685 . . . . 3.12 106.45 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -88.13 97.49 11.02 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 107.909 -1.145 . . . . 2.9 107.909 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.544 ' HB3' HG21 ' A' ' 15' ' ' VAL . 45.0 tp -105.49 79.11 1.42 Allowed 'General case' 0 N--CA 1.414 -2.228 0 N-CA-C 108.364 -0.976 . . . . 2.03 108.364 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.8 t -141.81 166.11 25.62 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.018 -1.104 . . . . 2.14 108.018 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.92 -154.51 41.46 Favored Glycine 0 N--CA 1.433 -1.512 0 N-CA-C 111.045 -0.822 . . . . 1.95 111.045 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -76.98 108.93 10.4 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 109.043 -0.725 . . . . 2.57 109.043 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -117.32 -6.05 11.28 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 113.322 0.86 . . . . 0.88 113.322 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.467 HD22 HG23 ' A' ' 7' ' ' THR . 3.2 mm? -69.46 -27.63 65.4 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 120.582 -0.447 . . . . 1.85 110.772 -176.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -96.47 9.53 41.07 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.492 -0.777 . . . . 2.24 111.367 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.8 mt -102.14 133.25 47.28 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.69 -1.226 . . . . 2.26 107.69 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -78.53 164.29 24.83 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.234 -0.654 . . . . 3.72 109.234 -177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.5 ' HA ' HG12 ' A' ' 38' ' ' ILE . 68.1 m-85 -73.7 -27.78 61.39 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.97 -1.122 . . . . 0.49 107.97 175.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.82 -22.8 67.09 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.68 -1.146 . . . . 2.48 110.357 172.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -82.02 -42.66 19.01 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 116.108 -0.496 . . . . 2.01 110.619 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.5 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.2 pt -93.79 11.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 113.926 1.084 . . . . 1.26 113.926 -174.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.48 49.98 47.1 Favored Glycine 0 C--N 1.313 -0.748 0 C-N-CA 121.336 -0.459 . . . . 0.55 113.287 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -125.75 128.37 47.63 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 120.886 0.374 . . . . 1.7 111.329 179.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.0 m-20 -87.41 165.09 15.83 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.188 -0.671 . . . . 1.89 109.188 175.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.441 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 3.4 m -66.35 -28.89 69.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.067 0.937 . . . . 0.88 109.003 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.82 ' HA ' ' HE3' ' A' ' 46' ' ' MET . 81.7 mt -58.72 -49.47 77.47 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.131 -1.395 . . . . 2.3 110.273 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.86 -26.9 66.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.577 -0.738 . . . . 1.17 111.144 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 79.8 mt -67.19 -31.42 71.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.987 0.422 . . . . 1.11 111.21 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.82 ' HE3' ' HA ' ' A' ' 43' ' ' LEU . 55.8 mtm -69.13 -30.57 68.86 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.669 -0.493 . . . . 2.29 109.669 178.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.84 -44.48 66.37 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.279 -1.008 . . . . 1.92 108.279 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.579 HG23 HD13 ' A' ' 14' ' ' LEU . 60.0 m -59.14 -41.84 89.23 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.916 -0.584 . . . . 1.11 110.647 176.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -68.08 -40.54 82.67 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.458 -0.497 . . . . 1.07 110.61 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.84 -41.82 83.12 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.174 0.59 . . . . 1.11 112.418 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -68.31 -25.72 65.27 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.047 0.451 . . . . 3.14 110.974 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -83.4 -40.37 19.44 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 116.038 -0.528 . . . . 1.18 110.053 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 44.0 mt-10 -53.42 -59.02 5.12 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.292 0.637 . . . . 0.64 110.631 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 p -64.2 -28.85 70.03 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.156 -0.929 . . . . 1.78 112.802 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -85.69 -32.37 21.98 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 112.045 0.387 . . . . 4.47 112.045 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -107.99 -5.11 17.27 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 114.422 1.268 . . . . 1.64 114.422 -174.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.33 55.18 4.08 Favored Glycine 0 C--O 1.247 0.968 0 C-N-CA 120.978 -0.63 . . . . 0.91 112.682 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.0 p -154.2 175.17 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 107.547 -1.279 . . . . 1.79 107.547 -177.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -139.88 144.64 37.31 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-N 118.898 0.772 . . . . 2.04 110.131 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.478 HD12 HD13 ' A' ' 78' ' ' ILE . 69.8 mt -127.64 122.83 22.76 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 107.75 -1.204 . . . . 1.6 107.75 178.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.548 ' HB2' HG22 ' A' ' 64' ' ' VAL . 31.2 Cg_exo -60.05 140.72 93.97 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 122.542 2.161 . . . . 0.8 112.0 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.547 ' HB2' ' SD ' ' A' ' 46' ' ' MET . 4.6 p-10 -60.77 -34.42 74.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.267 -0.424 . . . . 2.19 111.641 -177.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -67.5 -20.21 65.42 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.038 0.447 . . . . 2.48 111.343 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 61' ' ' PRO . 84.7 t -86.16 -53.33 10.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.287 0 CA-C-N 115.443 -0.799 . . . . 1.31 109.339 178.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.49 82.6 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.43 -0.804 . . . . 1.1 111.066 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' HA2' ' HB3' ' A' ' 42' ' ' SER . . . -88.28 32.76 4.29 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.905 -0.664 . . . . 0.97 111.795 177.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.426 ' HB3' ' O ' ' A' ' 64' ' ' VAL . 59.3 ttt180 -137.32 -19.48 1.25 Allowed 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.388 0.675 . . . . 4.05 110.593 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.463 HG13 HD12 ' A' ' 77' ' ' LEU . 28.5 m -68.84 131.17 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-O 121.663 0.744 . . . . 1.09 111.186 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -93.17 -38.33 11.63 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 114.725 -1.125 . . . . 1.88 111.327 -175.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.5 p -125.78 153.54 73.28 Favored Pre-proline 0 C--N 1.304 -1.411 0 CA-C-N 115.832 -0.622 . . . . 1.09 110.138 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.55 -20.42 70.64 Favored 'Trans proline' 0 C--N 1.367 1.549 0 C-N-CA 123.634 2.89 . . . . 0.4 112.268 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.5 -38.55 77.92 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.579 -0.737 . . . . 2.67 109.973 176.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.568 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.2 mt-10 -73.12 -42.06 63.31 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-N 115.216 -0.902 . . . . 2.23 110.005 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.98 -41.34 91.82 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 108.478 -0.934 . . . . 1.81 108.478 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.56 ' HB2' HD23 ' A' ' 10' ' ' LEU . 57.9 tp -64.07 -45.01 90.65 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.72 -0.673 . . . . 1.25 109.664 176.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -57.39 -41.0 79.41 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.43 -0.804 . . . . 0.89 111.901 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 65.5 mt -55.08 -42.29 72.65 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 123.695 0.622 . . . . 1.63 110.001 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.555 HG22 ' HG ' ' A' ' 5' ' ' LEU . 44.7 mm -73.39 -54.11 16.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 CA-C-N 115.443 -0.799 . . . . 1.29 109.788 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.676 ' HA ' HD21 ' A' ' 4' ' ' LEU . 14.0 m120 -52.19 -51.51 57.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.545 0.572 . . . . 1.45 112.545 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.24 -44.15 91.47 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.55 -0.357 . . . . 0.5 112.359 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.08 86.56 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.872 0.367 . . . . 1.17 111.685 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.2 mt -77.04 -14.32 59.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.004 0.372 . . . . 1.26 112.004 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.3 -18.0 60.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.832 0.825 . . . . 1.54 108.974 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -100.92 4.84 42.98 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.034 -0.985 . . . . 2.7 109.116 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -111.71 145.48 39.22 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.981 -0.554 . . . . 2.73 111.164 -176.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.491 ' HB2' ' SD ' ' A' ' 1' ' ' MET . . . . . . . . 0 N--CA 1.428 -1.554 0 N-CA-C 107.307 -1.368 . . . . 5.02 107.307 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 ttp . . . . . 0 C--O 1.24 0.594 0 N-CA-C 108.951 -0.759 . . . . 5.83 108.951 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.62 134.94 57.21 Favored 'General case' 0 C--O 1.247 0.937 0 CA-C-O 121.447 0.641 . . . . 1.95 111.945 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.2 m -80.92 106.88 13.26 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.915 -1.038 . . . . 2.28 110.177 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.6 mt -76.09 123.22 25.45 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 107.953 -1.128 . . . . 1.62 107.953 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.489 HD22 HD23 ' A' ' 52' ' ' LEU . 4.7 pp -79.52 152.67 30.05 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 120.992 -0.283 . . . . 2.09 111.434 -175.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p -83.77 -179.42 7.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.257 0.551 . . . . 1.41 111.583 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.7 m -81.19 -13.45 58.58 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 122.098 0.952 . . . . 1.31 108.783 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -79.48 -37.46 36.78 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 107.848 -1.167 . . . . 2.29 107.848 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.554 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 33.5 m-20 -65.52 -44.28 87.41 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.442 -0.799 . . . . 1.83 109.535 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.552 HD23 ' HB2' ' A' ' 75' ' ' LEU . 61.9 tp -54.93 -45.7 74.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.616 -0.72 . . . . 1.37 109.97 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -61.56 -59.67 4.87 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.465 -0.789 . . . . 3.48 111.184 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.554 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 16.2 ptm180 -54.49 -38.99 67.1 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.457 0.54 . . . . 3.93 112.457 -176.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.612 ' HB3' ' HD2' ' A' ' 51' ' ' ARG . . . -65.17 -51.98 57.76 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.343 0.592 . . . . 1.23 110.608 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD23 HD23 ' A' ' 26' ' ' LEU . 38.0 tp -63.84 -42.73 97.53 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.792 -1.094 . . . . 1.18 110.801 -176.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.516 HG11 ' HB2' ' A' ' 22' ' ' ASP . 74.8 t -59.77 -42.42 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.688 -0.687 . . . . 1.34 110.167 177.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.42 -35.23 65.8 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.585 -0.446 . . . . 2.04 110.617 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.621 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 74.5 m -68.13 -17.11 64.27 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 120.923 0.392 . . . . 1.74 111.862 176.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.572 ' HB3' ' OH ' ' A' ' 40' ' ' TYR . . . -76.42 -43.49 40.07 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.72 -1.215 . . . . 1.93 107.72 172.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.56 -122.88 7.49 Favored Glycine 0 N--CA 1.426 -2.007 0 N-CA-C 110.769 -0.932 . . . . 2.29 110.769 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -83.87 -4.68 58.86 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.224 0.535 . . . . 5.38 112.133 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 p -90.19 44.22 1.19 Allowed 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 122.629 1.204 . . . . 6.52 110.27 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.516 ' HB2' HG11 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -88.15 155.24 19.88 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 114.314 -1.312 . . . . 5.17 108.543 -178.563 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.02 101.62 1.93 Allowed Glycine 0 N--CA 1.427 -1.9 0 C-N-CA 120.192 -1.004 . . . . 3.3 113.037 174.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 t -171.98 -179.01 2.28 Favored 'General case' 0 C--N 1.287 -2.147 0 N-CA-C 104.108 -2.553 . . . . 3.12 104.108 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -82.61 89.69 6.73 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 119.278 0.945 . . . . 2.9 108.78 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.438 HD23 HD23 ' A' ' 14' ' ' LEU . 22.4 tp -130.91 24.25 4.98 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.334 -1.358 . . . . 2.03 107.334 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.1 t -128.39 138.35 52.3 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 107.297 -1.372 . . . . 2.14 107.297 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.6 -117.08 5.01 Favored Glycine 0 N--CA 1.44 -1.072 0 N-CA-C 110.373 -1.091 . . . . 1.95 110.373 -177.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -89.72 92.41 9.05 Favored 'General case' 0 CA--C 1.49 -1.353 0 CA-C-O 121.043 0.449 . . . . 2.57 110.49 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -134.14 13.42 3.9 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.246 -0.65 . . . . 0.88 109.246 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.654 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.2 mm? -72.38 -33.3 67.12 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.917 -0.583 . . . . 1.85 112.228 -173.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.472 ' HB3' HH22 ' A' ' 72' ' ' ARG . 4.1 p30 -103.27 5.4 37.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.664 0.268 . . . . 2.24 111.188 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.7 tp -73.17 108.61 6.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.124 -1.065 . . . . 2.26 108.124 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 35.0 mtm180 -69.49 131.28 44.48 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-O 120.957 0.408 . . . . 3.72 111.493 -174.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -55.0 -34.84 63.76 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.025 -0.989 . . . . 0.49 111.611 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.91 -38.69 70.57 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 123.813 0.696 . . . . 2.48 110.935 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.29 -39.71 62.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.034 -0.53 . . . . 2.01 110.985 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -88.04 21.65 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 113.294 0.85 . . . . 1.26 113.294 -176.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.08 13.15 79.49 Favored Glycine 0 C--O 1.239 0.407 0 CA-C-N 115.84 -0.618 . . . . 0.55 114.609 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.572 ' OH ' ' HB3' ' A' ' 18' ' ' ALA . 6.3 m-85 -86.34 121.7 29.27 Favored 'General case' 0 N--CA 1.428 -1.525 0 CA-C-N 117.245 0.522 . . . . 1.7 111.544 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -85.95 149.21 25.36 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.518 -1.29 . . . . 1.89 107.518 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.487 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 14.4 m -60.43 -20.7 60.73 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.058 0.456 . . . . 0.88 111.912 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.13 -38.88 89.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.28 0.562 . . . . 2.3 109.634 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.32 -21.44 60.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.686 -0.688 . . . . 1.17 110.193 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 55.0 mt -73.49 -33.43 64.81 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.338 -0.616 . . . . 1.11 109.338 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 63.6 mtt -65.08 -44.29 89.37 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 107.957 -1.127 . . . . 2.29 107.957 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.621 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 12.1 tp10 -57.61 -34.5 69.34 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.001 0.92 . . . . 1.92 110.551 175.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.467 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 64.6 m -68.5 -55.86 10.33 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.902 -0.59 . . . . 1.11 109.958 177.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -61.6 -36.2 80.03 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.527 -0.306 . . . . 1.07 111.758 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -52.87 -45.49 67.47 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 123.967 0.907 . . . . 1.11 113.049 -178.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.612 ' HD2' ' HB3' ' A' ' 13' ' ' ALA . 10.0 ptp180 -69.24 -30.8 69.01 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.436 -0.506 . . . . 3.14 110.397 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.489 HD23 HD22 ' A' ' 5' ' ' LEU . 90.4 mt -75.73 -35.57 60.2 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.831 -0.622 . . . . 1.18 109.541 -178.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.532 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.4 mt-10 -57.84 -55.6 32.8 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.771 -0.825 . . . . 0.64 108.771 174.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.2 t -62.4 -34.81 77.46 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 114.965 -1.016 . . . . 1.78 112.517 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -77.34 -32.24 55.04 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.934 -0.706 . . . . 4.47 112.179 -176.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -107.47 -12.72 15.24 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.253 1.205 . . . . 1.64 114.253 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.92 65.5 1.7 Allowed Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.497 -0.859 . . . . 0.91 111.765 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 53' ' ' GLU . 8.3 p -146.24 168.71 6.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 N-CA-C 107.922 -1.14 . . . . 1.79 107.922 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 p -134.88 125.31 26.5 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 118.386 0.539 . . . . 2.04 110.054 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.829 HD13 HD12 ' A' ' 78' ' ' ILE . 54.8 mt -130.37 121.83 19.64 Favored Pre-proline 0 C--N 1.302 -1.47 0 CA-C-N 116.39 -0.368 . . . . 1.6 110.016 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.454 ' HB2' HG22 ' A' ' 64' ' ' VAL . 51.4 Cg_exo -56.23 151.64 42.65 Favored 'Trans proline' 0 C--O 1.25 1.091 0 C-N-CA 123.516 2.811 . . . . 0.8 114.007 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.81 -54.79 33.41 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 126.23 1.812 . . . . 2.19 110.341 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -60.13 -27.26 66.91 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.785 -1.098 . . . . 2.48 112.171 -175.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.547 HG11 HD12 ' A' ' 77' ' ' LEU . 85.2 t -71.78 -58.69 4.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 109.396 -0.594 . . . . 1.31 109.396 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.74 -38.42 85.08 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.756 -0.657 . . . . 1.1 110.251 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.43 42.23 3.01 Favored Glycine 0 N--CA 1.436 -1.363 0 CA-C-N 115.712 -0.677 . . . . 0.97 112.326 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -134.53 -32.53 1.02 Allowed 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 122.688 0.395 . . . . 4.05 110.847 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.6 m -62.54 134.66 27.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 112.859 0.689 . . . . 1.09 112.859 -176.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 6.6 m-20 -93.18 -33.6 13.94 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 108.391 -0.966 . . . . 1.88 108.391 179.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.531 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 38.8 p -113.9 141.88 26.91 Favored Pre-proline 0 N--CA 1.436 -1.134 0 CA-C-N 115.048 -0.978 . . . . 1.09 111.671 -175.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 70' ' ' THR . 52.9 Cg_exo -61.03 -24.17 78.97 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.593 2.862 . . . . 0.4 111.83 178.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.654 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.7 ttm180 -59.17 -39.99 84.23 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.004 -0.544 . . . . 2.67 109.57 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.589 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.4 mm-40 -77.49 -33.45 54.48 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 115.92 -0.582 . . . . 2.23 110.925 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.66 -40.79 96.05 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.512 -0.921 . . . . 1.81 108.512 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.552 ' HB2' HD23 ' A' ' 10' ' ' LEU . 46.5 tp -60.28 -45.92 91.63 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.871 0.843 . . . . 1.25 108.956 174.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.87 -36.92 85.92 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.247 -1.342 . . . . 0.89 111.835 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 87.1 mt -59.23 -52.38 65.92 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 110.265 -0.272 . . . . 1.63 110.265 177.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.829 HD12 HD13 ' A' ' 60' ' ' ILE . 41.3 mm -64.35 -63.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.333 -0.849 . . . . 1.29 110.056 -178.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.03 -34.51 73.48 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 122.946 0.498 . . . . 1.45 112.135 -175.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -39.67 90.24 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.155 -0.778 . . . . 0.5 111.155 177.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.45 -26.27 60.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.216 0.531 . . . . 1.17 110.142 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 78' ' ' ILE . 96.8 mt -70.83 -37.97 73.22 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.452 -0.573 . . . . 1.26 109.452 174.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.95 -14.4 62.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.644 0.735 . . . . 1.54 110.708 176.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -80.9 -15.73 55.51 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.525 0.678 . . . . 2.7 109.387 176.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.35 133.31 34.53 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 109.659 -0.497 . . . . 2.73 109.659 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.912 0 N-CA-C 107.263 -1.384 . . . . 5.02 107.263 178.801 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 CA--C 1.512 -0.515 0 N-CA-C 109.323 -0.621 . . . . 5.83 109.323 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 82' ' ' LEU . . . -157.0 138.44 13.91 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 110.205 -0.294 . . . . 1.95 110.205 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 t -111.15 104.75 13.3 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.579 -1.267 . . . . 2.28 107.579 174.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.452 ' HB2' HD21 ' A' ' 79' ' ' ASN . 4.0 pp -97.64 158.92 15.24 Favored 'General case' 0 N--CA 1.412 -2.347 0 CA-C-N 115.371 -0.831 . . . . 1.62 109.537 -179.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.677 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 4.0 pp -104.58 148.92 25.98 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 112.189 0.44 . . . . 2.09 112.189 -175.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.6 p -96.46 -170.14 2.03 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 115.43 -0.804 . . . . 1.41 110.813 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.2 m -55.52 -54.51 43.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.685 0.794 . . . . 1.31 109.887 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -62.99 -32.22 73.51 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 113.568 0.951 . . . . 2.29 113.568 -179.19 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.677 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 49.6 m-20 -69.77 -42.04 74.34 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.384 -0.526 . . . . 1.83 109.623 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.55 HD22 ' HB2' ' A' ' 75' ' ' LEU . 62.3 tp -65.23 -42.89 92.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.913 -0.773 . . . . 1.37 108.913 176.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.499 ' O ' HG21 ' A' ' 15' ' ' VAL . 56.3 ttt180 -49.64 -61.12 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.75 1.22 . . . . 3.48 111.249 176.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 17.4 ptt180 -65.11 -27.93 69.09 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.799 0.666 . . . . 3.93 112.799 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -72.99 -38.21 66.71 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.175 -0.466 . . . . 1.23 110.599 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.46 -40.07 67.29 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.959 -0.564 . . . . 1.18 109.529 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.499 HG21 ' O ' ' A' ' 11' ' ' ARG . 97.2 t -57.71 -35.2 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-O 121.44 0.638 . . . . 1.34 109.526 175.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -69.58 -35.15 75.08 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.996 -1.002 . . . . 2.04 110.531 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.7 m -63.81 -44.3 93.67 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.399 -0.364 . . . . 1.74 110.949 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.56 -43.3 73.19 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.575 -0.528 . . . . 1.93 109.575 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.78 -75.28 1.48 Allowed Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.084 -0.962 . . . . 2.29 113.414 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -76.74 94.06 3.77 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.124 0.488 . . . . 5.38 111.719 -174.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.3 p 47.13 79.52 0.06 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.818 1.647 . . . . 6.52 115.081 173.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -129.93 143.96 51.07 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 121.199 0.523 . . . . 5.17 110.609 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.08 44.56 0.19 Allowed Glycine 0 N--CA 1.42 -2.433 0 N-CA-C 108.608 -1.797 . . . . 3.3 108.608 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -84.49 81.59 8.78 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.605 0.717 . . . . 3.12 111.348 -173.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 78.81 6.25 2.3 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.552 1.141 . . . . 2.9 112.757 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.82 -19.73 63.46 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.974 0.416 . . . . 2.03 111.544 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.2 m -75.37 120.46 20.85 Favored 'General case' 0 N--CA 1.427 -1.597 0 CA-C-N 115.931 -0.577 . . . . 2.14 109.891 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.27 -130.81 10.36 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 120.698 -0.763 . . . . 1.95 112.417 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -101.96 106.31 17.21 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.892 -0.781 . . . . 2.57 108.892 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 24.5 p90 -120.04 16.62 12.49 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 116.16 -0.473 . . . . 0.88 110.964 -177.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.5 mm? -77.67 -30.24 51.91 Favored 'General case' 0 C--N 1.312 -1.031 0 O-C-N 122.083 -0.385 . . . . 1.85 110.686 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.12 -5.17 56.8 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.415 -0.811 . . . . 2.24 109.403 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 30' ' ' PHE . 81.1 mt -92.26 97.99 11.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 115.452 -0.794 . . . . 2.26 109.366 -177.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -59.08 151.95 21.26 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 115.198 -0.91 . . . . 3.72 111.736 -177.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.589 ' HA ' HG12 ' A' ' 38' ' ' ILE . 84.0 m-85 -63.6 -25.67 68.34 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.264 -0.88 . . . . 0.49 111.701 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.88 -23.23 67.17 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.636 -0.711 . . . . 2.48 111.567 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -83.47 -43.91 15.3 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 109.408 -0.59 . . . . 2.01 109.408 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.589 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -82.6 17.08 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 113.502 0.927 . . . . 1.26 113.502 -175.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.65 22.37 75.2 Favored Glycine 0 C--O 1.242 0.64 0 N-CA-C 114.446 0.538 . . . . 0.55 114.446 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -88.88 143.21 27.04 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.656 0.984 . . . . 1.7 113.656 -176.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -99.56 152.21 20.29 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.538 -1.653 . . . . 1.89 106.538 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.551 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 43.2 m -67.08 -24.37 65.95 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.257 0.551 . . . . 0.88 111.263 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.7 -27.01 65.57 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.822 0.82 . . . . 2.3 109.557 176.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 47' ' ' GLU . . . -81.64 -18.49 44.43 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.125 -0.943 . . . . 1.17 109.964 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.551 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 35.6 mt -74.71 -34.97 62.7 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.809 -0.811 . . . . 1.11 108.809 177.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.481 ' HE3' ' HB2' ' A' ' 62' ' ' ASP . 60.6 mtp -63.72 -42.17 97.97 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 114.898 -1.046 . . . . 2.29 108.981 174.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 14.2 tp10 -55.22 -45.04 75.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.823 0.849 . . . . 1.92 109.789 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.6 m -64.29 -58.03 7.7 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.058 -0.974 . . . . 1.11 110.953 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' HB2' HD21 ' A' ' 74' ' ' LEU . . . -61.81 -34.18 75.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.351 0.5 . . . . 1.07 112.351 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.22 71.6 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 123.107 0.563 . . . . 1.11 112.331 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -73.87 -28.66 61.68 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.028 -0.669 . . . . 3.14 109.712 -178.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.404 HD23 ' CB ' ' A' ' 13' ' ' ALA . 75.2 mt -72.58 -40.56 66.49 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.418 -0.81 . . . . 1.18 109.509 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HA ' HG11 ' A' ' 58' ' ' VAL . 44.5 mt-10 -57.75 -49.04 77.91 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.693 -0.685 . . . . 0.64 109.569 175.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 m -62.76 -43.6 98.38 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.338 -1.301 . . . . 1.78 112.037 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -83.65 -37.83 22.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.713 0.635 . . . . 4.47 112.713 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -97.76 -10.51 24.73 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.177 0.806 . . . . 1.64 113.177 -173.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.21 58.54 2.3 Favored Glycine 0 CA--C 1.508 -0.387 0 C-N-CA 121.071 -0.585 . . . . 0.91 113.339 174.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.488 ' HB ' HD23 ' A' ' 82' ' ' LEU . 11.9 p -142.4 169.69 12.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 108.768 -0.826 . . . . 1.79 108.768 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.9 m -128.59 124.37 35.7 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.323 -0.621 . . . . 2.04 109.323 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.451 HD13 HD12 ' A' ' 78' ' ' ILE . 67.0 mt -124.77 111.71 27.39 Favored Pre-proline 0 C--N 1.306 -1.311 0 N-CA-C 109.313 -0.625 . . . . 1.6 109.313 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.572 ' HB2' HG21 ' A' ' 64' ' ' VAL . 54.6 Cg_exo -53.91 145.27 52.17 Favored 'Trans proline' 0 C--O 1.252 1.203 0 C-N-CA 122.761 2.307 . . . . 0.8 112.103 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.481 ' HB2' ' HE3' ' A' ' 46' ' ' MET . 5.8 p-10 -57.08 -37.28 71.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.452 1.101 . . . . 2.19 112.426 -175.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -69.81 -31.61 69.6 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 123.285 0.634 . . . . 2.48 111.096 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.572 HG21 ' HB2' ' A' ' 61' ' ' PRO . 58.8 t -71.12 -58.87 4.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 N-CA-C 109.031 -0.729 . . . . 1.31 109.031 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.94 70.45 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.001 -1.0 . . . . 1.1 111.078 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.51 31.44 5.48 Favored Glycine 0 N--CA 1.433 -1.521 0 C-N-CA 120.636 -0.792 . . . . 0.97 113.205 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -140.33 12.34 2.37 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 117.69 0.745 . . . . 4.05 110.598 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.486 HG23 HD22 ' A' ' 74' ' ' LEU . 19.0 m -94.97 105.59 17.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 O-C-N 121.346 -0.847 . . . . 1.09 111.103 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.49 -43.66 93.45 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.693 0.627 . . . . 1.88 112.693 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.1 p -107.19 143.74 27.75 Favored Pre-proline 0 C--N 1.306 -1.325 0 C-N-CA 120.708 -0.397 . . . . 1.09 110.23 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.432 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 54.3 Cg_exo -57.86 -26.87 76.14 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.476 2.784 . . . . 0.4 112.182 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.491 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 45.1 ttm180 -61.23 -36.7 80.66 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.817 -0.629 . . . . 2.67 110.644 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 14.1 mm-40 -65.27 -37.42 87.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.53 -0.305 . . . . 2.23 111.251 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.486 HD22 HG23 ' A' ' 68' ' ' VAL . 2.2 tm? -73.61 -40.89 63.49 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 108.194 -1.039 . . . . 1.81 108.194 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.55 ' HB2' HD22 ' A' ' 10' ' ' LEU . 58.7 tp -58.23 -55.92 28.78 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.888 0.875 . . . . 1.25 109.881 176.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.01 -34.35 77.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.659 -1.155 . . . . 0.89 111.201 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 73' ' ' GLU . 2.4 tt -55.11 -53.31 57.55 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.575 -1.268 . . . . 1.63 107.575 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.512 HG22 ' HG ' ' A' ' 5' ' ' LEU . 45.7 mm -58.29 -58.91 4.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.112 -0.949 . . . . 1.29 109.614 178.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.452 HD21 ' HB2' ' A' ' 4' ' ' LEU . 9.8 m120 -51.87 -54.99 22.81 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.082 0.864 . . . . 1.45 111.462 -176.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.34 -46.73 92.13 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.707 -0.679 . . . . 0.5 113.439 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.29 94.55 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 117.029 0.414 . . . . 1.17 111.039 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.594 ' HB3' ' HB2' ' A' ' 2' ' ' ALA . 95.8 mt -70.4 -41.95 72.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.629 -0.714 . . . . 1.26 111.696 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.43 -37.19 84.64 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 120.575 0.226 . . . . 1.54 111.375 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -65.12 -48.95 71.81 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 109.477 -0.564 . . . . 2.7 109.477 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 57.8 103.44 0.02 OUTLIER 'General case' 0 C--O 1.238 0.483 0 C-N-CA 124.933 1.293 . . . . 2.73 113.115 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.666 0 N-CA-C 108.231 -1.025 . . . . 5.02 108.231 178.684 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.691 HG23 ' HD1' ' A' ' 56' ' ' TYR . 9.2 t . . . . . 0 N--CA 1.438 -1.048 0 N-CA-C 107.687 -1.227 . . . . 1.7 107.687 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.592 HD22 ' HA ' ' A' ' 79' ' ' ASN . 78.8 mt -91.16 127.75 36.71 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.734 -0.604 . . . . 1.02 111.021 -174.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.493 HD22 HG21 ' A' ' 78' ' ' ILE . 2.2 pt? -68.97 141.64 54.88 Favored 'General case' 0 C--O 1.251 1.148 0 N-CA-C 108.448 -0.945 . . . . 1.37 108.448 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.1 p -96.82 -170.48 2.06 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 116.066 -0.515 . . . . 0.88 110.978 -176.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.2 m -57.65 -53.92 52.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.856 -0.794 . . . . 0.7 108.856 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.76 -41.52 74.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.957 -1.02 . . . . 2.29 112.627 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -64.57 -47.87 77.11 Favored 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 123.573 0.546 . . . . 1.83 110.368 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.628 HD22 ' HB2' ' A' ' 75' ' ' LEU . 41.4 tp -61.89 -45.0 95.64 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.234 -0.654 . . . . 0.75 109.234 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -52.37 -59.93 3.83 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.752 0.821 . . . . 2.88 111.392 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -60.27 -43.05 96.52 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.98 -0.555 . . . . 3.46 112.0 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.85 86.96 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.182 -0.463 . . . . 0.63 110.935 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' OH ' ' A' ' 40' ' ' TYR . 37.5 tp -67.66 -30.82 70.46 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.473 -0.33 . . . . 0.62 111.757 -176.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t -72.78 -37.64 55.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.084 -0.71 . . . . 0.74 109.084 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.53 -35.66 76.53 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.295 -0.866 . . . . 2.04 111.463 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' HH12 ' A' ' 51' ' ' ARG . 2.7 p . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 113.23 0.826 . . . . 1.3 113.23 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 p90 . . . . . 0 CA--C 1.514 -0.421 0 CA-C-O 121.717 0.77 . . . . 0.73 109.506 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.9 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 2.8 mm? -72.96 -11.86 60.73 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.462 -0.79 . . . . 1.26 112.161 -173.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -94.47 0.4 55.33 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 120.908 0.385 . . . . 2.24 110.575 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -78.73 169.96 17.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.864 -1.162 . . . . 1.73 107.864 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HD2' ' OD2' ' A' ' 69' ' ' ASP . 31.7 mtm180 -124.88 147.6 48.72 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.082 -1.047 . . . . 3.1 111.335 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.49 ' HA ' HG12 ' A' ' 38' ' ' ILE . 44.2 m-85 -65.58 -35.95 82.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.937 -0.574 . . . . 0.43 111.273 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.7 -36.76 84.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.963 0.887 . . . . 2.48 109.088 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.62 -37.44 65.39 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.151 -0.931 . . . . 2.01 110.56 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.49 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.1 pt -88.18 14.51 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 111.879 0.326 . . . . 0.65 111.879 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.88 44.15 96.52 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 116.011 -0.54 . . . . 0.55 114.32 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.442 ' OH ' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -103.77 136.94 42.52 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.527 0.679 . . . . 1.1 111.345 179.139 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 12.6 m-20 -82.52 146.54 29.17 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 114.812 -1.085 . . . . 1.89 108.234 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 64.4 m -67.86 -28.53 67.62 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.278 0.561 . . . . 0.88 110.428 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.0 mt -60.88 -38.55 86.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.367 -0.833 . . . . 1.7 108.784 172.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.18 -28.65 62.33 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.011 -0.995 . . . . 0.46 110.329 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.473 HD13 HG23 ' A' ' 68' ' ' VAL . 74.9 mt -70.0 -40.07 75.51 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.318 -0.623 . . . . 0.31 109.318 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 84.2 mtp -61.63 -43.4 98.93 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.421 -0.809 . . . . 1.7 109.19 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.56 -44.08 97.69 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.716 -0.674 . . . . 1.92 110.503 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.436 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 94.6 m -58.06 -52.34 65.93 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 115.537 -0.756 . . . . 0.43 109.505 175.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.43 -43.74 96.47 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.84 -0.618 . . . . 0.29 111.394 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.62 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -53.83 -37.78 63.95 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.756 0.822 . . . . 0.38 112.179 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.53 HH12 ' HB3' ' A' ' 17' ' ' SER . 29.7 ttp180 -68.06 -40.35 82.8 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.763 0.792 . . . . 2.54 110.523 178.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.2 mt -77.14 -28.6 54.3 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.385 -0.825 . . . . 0.4 110.915 -176.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.62 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 52.7 mt-10 -56.13 -59.21 5.25 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 123.51 0.506 . . . . 0.64 110.693 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.1 t -66.62 -34.57 78.18 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.038 -0.983 . . . . 1.33 110.534 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -70.78 -45.52 64.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.57 0.581 . . . . 3.79 112.57 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.691 ' HD1' HG23 ' A' ' 3' ' ' THR . 92.8 m-85 -104.28 -13.86 16.01 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 114.743 1.386 . . . . 1.17 114.743 -173.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.47 49.15 2.84 Favored Glycine 0 C--N 1.302 -1.326 0 C-N-CA 119.667 -1.254 . . . . 0.91 112.721 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 31.1 m -131.74 170.99 18.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 N-CA-C 108.957 -0.757 . . . . 1.17 108.957 177.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.2 p -143.11 119.86 11.18 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 108.654 -0.869 . . . . 1.6 108.654 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.53 HD11 HD13 ' A' ' 78' ' ' ILE . 71.8 mt -112.07 114.34 51.34 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.676 -0.49 . . . . 0.95 109.676 -176.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.536 ' HB2' HG23 ' A' ' 64' ' ' VAL . 52.3 Cg_exo -53.64 144.72 51.74 Favored 'Trans proline' 0 C--O 1.246 0.92 0 C-N-CA 122.598 2.199 . . . . 0.69 111.739 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -43.54 -53.68 5.41 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.936 1.294 . . . . 2.19 113.274 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.94 -28.04 66.28 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 113.286 0.847 . . . . 2.48 113.286 -174.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.536 HG23 ' HB2' ' A' ' 61' ' ' PRO . 61.9 t -63.13 -47.92 90.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 120.978 0.418 . . . . 0.56 110.66 -177.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 -16.03 63.99 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.933 -0.576 . . . . 0.51 111.933 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.16 -7.73 76.48 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.52 -0.848 . . . . 0.97 111.063 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -102.32 11.85 37.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.891 0.7 . . . . 3.52 112.891 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.678 HG21 HD23 ' A' ' 74' ' ' LEU . 29.9 m -101.45 112.36 34.21 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.539 0.685 . . . . 0.5 110.773 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.435 ' OD2' ' HD2' ' A' ' 34' ' ' ARG . 20.8 t70 -88.63 -39.28 14.18 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.71 -0.677 . . . . 1.88 110.862 -176.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.8 p -111.59 152.9 44.35 Favored Pre-proline 0 C--N 1.303 -1.441 0 CA-C-N 116.002 -0.544 . . . . 0.43 110.356 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 32.2 Cg_exo -60.28 -26.06 81.69 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 123.164 2.576 . . . . 0.34 112.471 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.9 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 7.8 ptp180 -62.03 -37.51 85.18 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.448 -0.342 . . . . 2.05 110.568 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 44.2 mt-10 -69.87 -43.61 71.5 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 123.293 0.371 . . . . 2.23 110.399 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.678 HD23 HG21 ' A' ' 68' ' ' VAL . 2.9 tm? -64.12 -39.69 94.57 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.38 -0.6 . . . . 1.17 109.38 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.628 ' HB2' HD22 ' A' ' 10' ' ' LEU . 46.1 tp -66.16 -43.85 85.76 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-O 121.44 0.638 . . . . 0.6 109.369 177.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.84 -27.1 67.99 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 114.783 -1.099 . . . . 0.89 110.952 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 78.7 mt -61.71 -51.12 69.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.15 -0.315 . . . . 1.06 110.15 176.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.53 HD13 HD11 ' A' ' 60' ' ' ILE . 32.7 mm -67.43 -58.08 7.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.202 -0.666 . . . . 0.62 109.202 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.592 ' HA ' HD22 ' A' ' 4' ' ' LEU . 88.9 m-20 -53.2 -49.37 66.88 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.205 -0.907 . . . . 1.45 110.878 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.28 -44.62 95.26 Favored Glycine 0 N--CA 1.434 -1.478 0 CA-C-N 115.22 -0.9 . . . . 0.48 113.013 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.35 98.47 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.943 0.372 . . . . 0.56 111.159 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 56' ' ' TYR . 83.6 mt -64.76 -39.31 93.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.72 111.79 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.064 0 CA-C-O 121.174 0.512 . . . . 0.93 110.705 179.364 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.44 -0.945 0 CA-C-O 120.658 0.266 . . . . 1.7 110.406 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.702 HD22 ' HA ' ' A' ' 79' ' ' ASN . 84.2 mt -98.75 168.05 10.39 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.363 -0.606 . . . . 1.02 109.363 178.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.606 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? -129.03 154.13 46.93 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.84 -0.344 . . . . 1.37 110.277 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -101.05 -170.46 1.84 Allowed 'General case' 0 C--N 1.3 -1.571 0 O-C-N 123.596 0.56 . . . . 0.88 109.967 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 54.9 m -67.34 -38.75 85.37 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 122.682 0.393 . . . . 0.7 110.6 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.559 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 25.8 t70 -67.88 -30.33 69.66 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.084 0.469 . . . . 2.29 110.722 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.606 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 14.3 m-20 -68.69 -48.69 63.26 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.041 -0.726 . . . . 1.83 109.041 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.74 HD22 ' HB2' ' A' ' 75' ' ' LEU . 54.8 tp -60.01 -38.7 83.43 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.722 -0.672 . . . . 0.75 109.606 177.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.559 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 63.8 ttt180 -51.47 -60.36 3.23 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.428 1.091 . . . . 2.88 110.377 176.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 41.0 mtt180 -64.92 -33.62 76.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.02 0.438 . . . . 3.46 110.679 -176.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -67.71 -37.04 81.72 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.793 -0.639 . . . . 0.63 111.503 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.9 tp -80.78 -33.55 34.84 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.029 0.443 . . . . 0.62 110.04 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 t -53.93 -41.4 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.996 0.918 . . . . 0.74 110.894 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -56.74 -27.66 59.7 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 113.747 1.018 . . . . 2.04 113.747 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.468 ' HB3' HH12 ' A' ' 51' ' ' ARG . 6.3 p . . . . . 0 C--N 1.319 -0.723 0 O-C-N 121.655 -0.653 . . . . 1.3 112.669 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 30.4 p90 . . . . . 0 N--CA 1.447 -0.625 0 CA-C-O 121.023 0.439 . . . . 0.73 110.147 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.541 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 8.4 mp -70.38 -21.39 62.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.091 0.556 . . . . 1.26 112.406 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.48 -2.13 57.32 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.802 0.689 . . . . 2.24 110.979 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.0 mt -91.1 175.19 7.04 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.416 -0.957 . . . . 1.73 108.416 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -116.99 144.31 44.73 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 109.235 -0.654 . . . . 3.1 109.235 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 71' ' ' PRO . 54.6 m-85 -65.32 -33.36 75.79 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.315 -0.402 . . . . 0.43 110.667 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.97 -39.24 81.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.982 0.801 . . . . 2.48 110.883 -179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -73.65 -38.73 64.89 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 116.462 -0.335 . . . . 2.01 110.971 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.9 pt -85.07 20.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 113.347 0.869 . . . . 0.65 113.347 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.36 7.81 87.75 Favored Glycine 0 C--N 1.316 -0.58 0 N-CA-C 114.413 0.525 . . . . 0.55 114.413 174.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -96.09 156.46 16.33 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-N 117.316 0.558 . . . . 1.1 110.662 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.573 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -141.42 171.92 13.4 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.25 -0.648 . . . . 1.89 109.25 177.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -42.29 -48.36 4.98 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 127.136 2.174 . . . . 0.88 113.299 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.15 -35.7 74.22 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.291 0.567 . . . . 1.7 111.661 -175.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.12 -28.39 65.34 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.796 0.808 . . . . 0.46 109.566 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 82.0 mt -78.3 -38.31 42.72 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.343 -0.844 . . . . 0.31 110.702 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.428 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 74.5 mtp -58.21 -43.61 87.74 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 123.624 0.578 . . . . 1.7 109.566 175.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -57.77 -51.59 68.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.19 -0.914 . . . . 1.92 109.872 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.9 m -55.92 -50.36 70.91 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.839 -1.073 . . . . 0.43 110.507 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.64 -43.19 99.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.533 -0.303 . . . . 0.29 111.189 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -59.17 -43.11 92.12 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.452 0.538 . . . . 0.38 112.452 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.468 HH12 ' HB3' ' A' ' 17' ' ' SER . 17.2 ptt-85 -69.53 -24.66 63.76 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.863 -0.735 . . . . 2.54 111.053 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' A' ' 13' ' ' ALA . 90.4 mt -77.86 -34.77 51.55 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.069 -0.514 . . . . 0.4 109.744 176.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.609 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.7 mt-10 -57.78 -49.71 75.7 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.084 -0.71 . . . . 0.64 109.084 174.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -64.25 -27.51 69.1 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.251 -0.886 . . . . 1.33 112.195 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -89.72 -43.98 10.32 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.206 -0.598 . . . . 3.79 111.943 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -94.24 -21.17 19.21 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 113.553 0.946 . . . . 1.17 113.553 -174.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.98 65.6 1.59 Allowed Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.038 -1.077 . . . . 0.91 110.492 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 53' ' ' GLU . 14.8 p -139.64 168.7 17.75 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 107.84 -1.17 . . . . 1.17 107.84 -177.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -133.26 119.89 20.38 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 118.471 0.578 . . . . 1.6 109.722 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.543 HD11 HD13 ' A' ' 78' ' ' ILE . 66.7 mt -128.0 115.91 20.47 Favored Pre-proline 0 C--N 1.31 -1.121 0 N-CA-C 109.575 -0.528 . . . . 0.95 109.575 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.488 ' HB2' HG23 ' A' ' 64' ' ' VAL . 31.9 Cg_exo -59.42 153.6 53.1 Favored 'Trans proline' 0 C--O 1.253 1.242 0 C-N-CA 122.795 2.33 . . . . 0.69 112.335 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -59.0 -47.89 83.56 Favored 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 124.009 0.923 . . . . 2.19 110.518 -176.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.29 -21.51 64.01 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 114.762 -1.108 . . . . 2.48 111.912 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.488 HG23 ' HB2' ' A' ' 61' ' ' PRO . 57.7 t -85.72 -57.87 3.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 109.486 -0.561 . . . . 0.56 109.486 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 46' ' ' MET . . . -57.71 -36.11 71.55 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.662 -0.699 . . . . 0.51 111.294 -178.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.97 39.71 2.83 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 120.836 -0.697 . . . . 0.97 111.951 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -143.22 2.55 1.3 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.872 0.844 . . . . 3.52 109.776 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.433 HG23 HD13 ' A' ' 45' ' ' LEU . 27.3 m -91.93 121.07 42.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.75 -0.594 . . . . 0.5 109.908 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -95.76 -29.79 14.06 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.531 0.682 . . . . 1.88 110.211 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 56.3 p -111.09 141.12 23.61 Favored Pre-proline 0 N--CA 1.432 -1.335 0 CA-C-N 115.726 -0.67 . . . . 0.43 110.157 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.541 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -58.86 -24.17 70.96 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.476 2.784 . . . . 0.34 112.611 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HA ' ' HG ' ' A' ' 31' ' ' LEU . 44.2 ttm180 -57.71 -44.35 85.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.718 -0.673 . . . . 2.05 109.559 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 39.0 mt-10 -64.48 -46.76 81.63 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.459 -0.791 . . . . 2.23 110.734 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.34 -44.25 95.71 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.202 -0.666 . . . . 1.17 109.202 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.74 ' HB2' HD22 ' A' ' 10' ' ' LEU . 55.9 tp -63.58 -46.42 85.95 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.605 -0.725 . . . . 0.6 109.85 178.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.55 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.768 -1.106 . . . . 0.89 111.926 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 84.7 mt -58.3 -51.94 67.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.664 0.268 . . . . 1.06 110.367 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.543 HD13 HD11 ' A' ' 60' ' ' ILE . 31.3 mm -63.61 -56.67 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 108.808 -0.812 . . . . 0.62 108.808 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.702 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.6 m120 -51.16 -54.39 25.8 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.244 -0.889 . . . . 1.45 111.693 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.08 -53.79 42.04 Favored Glycine 0 N--CA 1.436 -1.352 0 CA-C-N 115.711 -0.677 . . . . 0.48 113.121 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.87 81.3 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 112.061 0.393 . . . . 0.56 112.061 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.3 mt -76.05 -33.06 59.59 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 112.088 0.403 . . . . 0.72 112.088 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.866 0 CA-C-O 120.599 0.238 . . . . 0.93 111.639 -179.2 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.441 -0.918 0 CA-C-O 121.681 0.753 . . . . 1.7 109.168 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' A' ' 79' ' ' ASN . 83.8 mt -78.36 167.5 21.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.375 0.607 . . . . 1.02 112.158 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 9' ' ' ASP . 76.1 mt -84.8 141.29 30.6 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-N 115.518 -0.764 . . . . 1.37 109.969 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.7 p -94.2 -170.47 2.3 Favored 'General case' 0 N--CA 1.415 -2.187 0 N-CA-C 107.056 -1.461 . . . . 0.88 107.056 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.5 HG23 HD21 ' A' ' 31' ' ' LEU . 43.3 m -68.76 -45.55 71.11 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 118.058 0.39 . . . . 0.7 110.226 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.552 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 34.8 t70 -68.66 -23.92 64.47 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 111.888 0.329 . . . . 2.29 111.888 -178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.467 ' HB3' HD22 ' A' ' 5' ' ' LEU . 3.0 m-20 -59.52 -51.69 68.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.288 0.566 . . . . 1.83 110.358 175.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.462 HD22 ' HE1' ' A' ' 30' ' ' PHE . 4.4 tt -65.44 -41.36 93.55 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 107.612 -1.255 . . . . 0.75 107.612 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HD3' ' OD1' ' A' ' 8' ' ' ASP . 54.5 ttt180 -53.55 -53.81 46.26 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.607 -0.724 . . . . 2.88 111.587 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 91.9 mtt180 -58.84 -44.36 90.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.924 0.392 . . . . 3.46 110.902 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.26 62.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.014 -0.539 . . . . 0.63 111.978 -176.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.6 tp -83.02 -24.88 32.65 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.04 0.448 . . . . 0.62 110.276 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 11' ' ' ARG . 98.7 t -72.77 -17.7 18.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 121.712 0.767 . . . . 0.74 110.336 176.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 14.1 mm-40 -71.77 -28.86 63.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.618 -0.719 . . . . 2.04 111.947 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.32 -0.706 0 CA-C-O 121.255 0.55 . . . . 1.3 111.612 178.075 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.462 ' HE1' HD22 ' A' ' 10' ' ' LEU . 52.7 p90 . . . . . 0 C--O 1.212 -0.873 0 N-CA-C 110.071 -0.344 . . . . 0.73 110.071 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.633 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 2.5 mm? -75.63 -27.69 58.51 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.657 -0.417 . . . . 1.26 111.849 -172.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -100.03 3.41 44.13 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 120.021 -0.672 . . . . 2.24 109.984 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -85.59 114.62 22.74 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 107.331 -1.359 . . . . 1.73 107.331 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -65.57 149.29 50.31 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.263 -0.426 . . . . 3.1 111.607 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 69.2 m-85 -67.04 -28.0 67.86 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.221 -0.445 . . . . 0.43 110.897 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.25 -37.64 64.88 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 124.422 1.089 . . . . 2.48 110.163 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.24 -39.49 68.43 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.817 -0.629 . . . . 2.01 110.081 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.414 HD11 ' HD1' ' A' ' 35' ' ' PHE . 29.2 pt -93.46 18.44 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.637 0.606 . . . . 0.65 112.637 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.6 40.17 96.03 Favored Glycine 0 C--O 1.225 -0.432 0 CA-C-N 115.42 -0.809 . . . . 0.55 113.909 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -101.93 169.45 8.76 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-N 117.192 0.496 . . . . 1.1 112.312 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.624 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.8 p-10 -139.77 171.99 13.43 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.645 -0.707 . . . . 1.89 109.578 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -65.51 -40.65 93.26 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 124.083 0.953 . . . . 0.88 111.771 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.01 -33.7 72.36 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 120.955 0.407 . . . . 1.7 110.639 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.79 -31.9 72.1 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.451 0.643 . . . . 0.46 110.18 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 69.3 mt -74.02 -42.53 60.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.75 -0.659 . . . . 0.31 109.639 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 73.4 mtp -58.17 -45.73 86.95 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.16 -0.927 . . . . 1.7 109.966 177.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -57.1 -50.07 73.94 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.83 -0.623 . . . . 1.92 109.619 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.5 m -56.34 -52.32 64.99 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 123.924 0.89 . . . . 0.43 111.35 178.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.457 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -59.36 -45.58 91.01 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.037 0.21 . . . . 0.29 111.113 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.568 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -62.17 -32.78 73.44 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.345 0.593 . . . . 0.38 111.656 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -70.09 -34.54 73.28 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 124.346 1.058 . . . . 2.54 110.694 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.51 -36.41 63.21 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.002 -0.545 . . . . 0.4 110.701 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.568 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 45.4 mt-10 -51.13 -56.78 10.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.466 0.706 . . . . 0.64 112.003 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -58.18 -29.11 65.38 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.19 0.811 . . . . 1.33 113.19 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -87.98 -35.9 17.36 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 120.462 -0.495 . . . . 3.79 111.91 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -102.82 -18.13 15.25 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 115.71 1.745 . . . . 1.17 115.71 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.99 60.91 1.98 Allowed Glycine 0 C--N 1.309 -0.968 0 C-N-CA 119.768 -1.206 . . . . 0.91 111.03 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.456 ' HB ' HD21 ' A' ' 82' ' ' LEU . 7.1 p -143.18 150.09 17.94 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.892 0 N-CA-C 106.792 -1.558 . . . . 1.17 106.792 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.559 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 50.3 m -129.98 115.55 17.31 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 118.131 0.423 . . . . 1.6 110.154 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 70.8 mt -120.6 127.54 26.23 Favored Pre-proline 0 C--N 1.306 -1.316 0 CA-C-N 116.165 -0.471 . . . . 0.95 109.914 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HB2' HG23 ' A' ' 64' ' ' VAL . 34.3 Cg_exo -59.6 140.95 96.23 Favored 'Trans proline' 0 C--O 1.245 0.861 0 C-N-CA 122.525 2.15 . . . . 0.69 111.322 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.3 -41.51 72.44 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.483 1.113 . . . . 2.19 111.857 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.5 -34.91 69.56 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.729 -0.669 . . . . 2.48 111.674 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 61' ' ' PRO . 49.1 t -67.23 -52.34 43.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 123.321 0.648 . . . . 0.56 110.281 -177.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.15 69.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.626 -0.715 . . . . 0.51 111.246 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.33 3.7 83.84 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.791 -0.719 . . . . 0.97 113.268 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -109.02 -3.41 17.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.81 0.671 . . . . 3.52 112.81 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.505 HG23 HD13 ' A' ' 45' ' ' LEU . 27.2 m -85.43 125.52 40.46 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 C-N-CA 119.769 -0.772 . . . . 0.5 111.752 -177.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -93.54 -27.54 16.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.58 0.705 . . . . 1.88 110.018 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.2 p -127.72 147.08 61.22 Favored Pre-proline 0 C--N 1.31 -1.142 0 CA-C-N 115.582 -0.736 . . . . 0.43 110.915 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.633 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 46.0 Cg_exo -59.39 -21.25 60.18 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 123.475 2.783 . . . . 0.34 112.479 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 31' ' ' LEU . 23.2 tpp180 -55.11 -43.05 73.72 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 123.938 0.895 . . . . 2.05 108.669 175.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 29.5 mt-10 -73.38 -45.08 56.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.879 -1.055 . . . . 2.23 109.921 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.06 -45.99 86.14 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.484 0.714 . . . . 1.17 109.4 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.37 -46.11 90.14 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 115.504 -0.771 . . . . 0.6 110.061 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.52 -38.03 88.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.145 -0.934 . . . . 0.89 111.891 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 91.0 mt -53.61 -47.64 70.04 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.173 0.511 . . . . 1.06 110.33 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.409 HG21 ' HG ' ' A' ' 5' ' ' LEU . 43.9 mm -67.48 -55.49 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.934 -1.03 . . . . 0.62 109.224 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.718 ' HA ' HD22 ' A' ' 4' ' ' LEU . 15.1 m120 -49.67 -55.32 14.18 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.678 0.791 . . . . 1.45 111.508 -178.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.91 -48.95 83.56 Favored Glycine 0 N--CA 1.437 -1.27 0 O-C-N 124.062 0.851 . . . . 0.48 112.741 -177.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.02 81.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.704 0.252 . . . . 0.56 111.658 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.456 HD21 ' HB ' ' A' ' 58' ' ' VAL . 70.8 mt -64.96 -45.92 83.69 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 112.196 0.443 . . . . 0.72 112.196 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.579 0 CA-C-O 120.785 0.326 . . . . 0.93 111.582 -178.245 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.439 -0.985 0 N-CA-C 107.59 -1.263 . . . . 1.7 107.59 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.528 ' HA ' ' CD1' ' A' ' 82' ' ' LEU 0.293 2.4 pp -64.8 137.57 57.86 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 114.519 1.303 . . . . 1.02 114.519 -177.456 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.408 HD11 ' HB ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -69.57 153.36 43.59 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.438 -1.256 . . . . 1.37 112.092 -175.084 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.1 p -91.11 -177.88 5.02 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 116.454 -0.339 . . . . 0.88 111.303 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 m -67.27 -38.67 85.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.819 -1.178 . . . . 0.7 107.819 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 35.9 t70 -66.21 -40.9 90.68 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.851 -1.068 . . . . 2.29 110.928 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -61.84 -40.79 96.54 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.753 0.311 . . . . 1.83 110.183 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.622 HD22 ' HB2' ' A' ' 75' ' ' LEU . 59.1 tp -59.02 -46.11 89.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.124 -0.943 . . . . 0.75 109.135 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' O ' HG23 ' A' ' 15' ' ' VAL . 18.7 ttp180 -55.9 -51.85 66.17 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 123.806 0.691 . . . . 2.88 110.45 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 49.6 mtt180 -57.56 -52.27 66.1 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.001 0.429 . . . . 3.46 111.379 -177.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -28.23 69.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.767 -0.651 . . . . 0.63 112.048 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.438 ' HG ' ' CZ ' ' A' ' 40' ' ' TYR . 18.4 tp -82.97 -40.28 20.25 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.967 -0.56 . . . . 0.62 109.892 -178.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 11' ' ' ARG . 93.1 t -65.02 -35.62 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.486 -0.324 . . . . 0.74 110.365 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 41.6 mm-40 -59.86 -35.82 75.57 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.537 0.208 . . . . 2.04 110.92 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.452 -0.366 0 CA-C-N 116.114 -0.493 . . . . 1.3 110.039 178.473 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.682 ' HA ' HD13 ' A' ' 33' ' ' LEU . 21.7 p90 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 120.96 0.41 . . . . 0.73 110.623 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.685 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 7.1 mp -61.67 -35.59 78.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 115.913 1.82 . . . . 1.26 115.913 -171.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.51 6.42 45.88 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.505 0.928 . . . . 2.24 113.505 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.682 HD13 ' HA ' ' A' ' 30' ' ' PHE . 8.7 mp -78.17 106.28 9.96 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.984 -0.747 . . . . 1.73 108.984 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -56.7 134.6 54.9 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 111.974 0.361 . . . . 3.1 111.974 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.438 ' HA ' HG12 ' A' ' 38' ' ' ILE . 59.1 m-85 -60.78 -31.17 70.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.59 -0.732 . . . . 0.43 110.743 178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.04 -51.72 68.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.454 -0.794 . . . . 2.48 110.046 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.39 -37.13 71.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.438 -0.801 . . . . 2.01 111.783 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.438 HG12 ' HA ' ' A' ' 35' ' ' PHE . 33.0 pt -83.88 16.43 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.846 0.684 . . . . 0.65 112.846 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.87 32.8 85.38 Favored Glycine 0 C--O 1.247 0.924 0 N-CA-C 114.907 0.723 . . . . 0.55 114.907 174.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CZ ' ' HG ' ' A' ' 14' ' ' LEU . 1.4 m-85 -93.36 139.68 30.4 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.376 0.608 . . . . 1.1 111.914 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -87.05 145.51 26.45 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 107.256 -1.387 . . . . 1.89 107.256 177.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.522 ' O ' ' HG3' ' A' ' 46' ' ' MET . 48.9 m -70.79 -28.6 64.78 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 120.347 -0.541 . . . . 0.88 110.108 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.27 -24.6 65.8 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.585 -0.446 . . . . 1.7 111.218 173.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.81 -34.79 62.43 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.711 -0.848 . . . . 0.46 108.711 175.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' O ' ' HB ' ' A' ' 48' ' ' THR . 65.9 mt -65.16 -40.94 95.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.71 -0.677 . . . . 0.31 109.266 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.522 ' HG3' ' O ' ' A' ' 42' ' ' SER . 61.8 mtt -59.81 -46.06 90.41 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 114.754 -1.112 . . . . 1.7 110.166 178.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.41 -38.09 88.3 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.05 0.452 . . . . 1.92 109.967 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 91.1 m -58.08 -59.5 5.19 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.297 -0.865 . . . . 0.43 110.053 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.24 83.06 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.391 -0.368 . . . . 0.29 111.168 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.483 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -57.89 -42.79 85.4 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.928 0.491 . . . . 0.38 112.257 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 48' ' ' THR . 5.6 ptp180 -72.71 -25.49 61.25 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.991 -0.684 . . . . 2.54 109.691 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD22 ' HE2' ' A' ' 56' ' ' TYR . 95.5 mt -76.67 -31.28 57.2 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.696 -0.684 . . . . 0.4 110.359 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.483 ' OE2' ' HA ' ' A' ' 50' ' ' ALA . 46.6 mt-10 -55.94 -56.67 17.92 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 123.655 0.597 . . . . 0.64 109.843 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -65.13 -36.05 83.05 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.243 -0.889 . . . . 1.33 111.459 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -71.46 -45.86 61.47 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.363 -0.535 . . . . 3.79 112.137 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.663 ' HB3' HD21 ' A' ' 82' ' ' LEU . 96.9 m-85 -97.13 -20.9 17.66 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 115.044 1.498 . . . . 1.17 115.044 -172.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.14 46.84 2.33 Favored Glycine 0 C--N 1.309 -0.922 0 C-N-CA 119.752 -1.213 . . . . 0.91 112.887 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 23.5 m -128.54 176.2 8.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 O-C-N 122.751 -0.264 . . . . 1.17 111.363 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 p -136.16 111.49 9.12 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 123.906 0.754 . . . . 1.6 109.202 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.615 HD13 ' HG ' ' A' ' 77' ' ' LEU . 69.1 mt -134.83 111.27 11.22 Favored Pre-proline 0 C--N 1.31 -1.139 0 N-CA-C 110.007 -0.368 . . . . 0.95 110.007 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.4 ' HD2' HG21 ' A' ' 64' ' ' VAL . 39.2 Cg_exo -62.62 156.23 53.91 Favored 'Trans proline' 0 C--O 1.25 1.106 0 C-N-CA 123.593 2.862 . . . . 0.69 114.124 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.82 -49.2 68.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.64 1.176 . . . . 2.19 112.16 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.636 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 22.9 t70 -56.06 -43.15 77.65 Favored 'General case' 0 C--O 1.21 -1.007 0 O-C-N 123.464 0.477 . . . . 2.48 111.351 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.4 HG21 ' HD2' ' A' ' 61' ' ' PRO . 44.7 t -61.83 -51.99 66.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 123.526 0.73 . . . . 0.56 110.199 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.28 -21.33 65.13 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.775 -0.648 . . . . 0.51 111.951 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.56 7.57 77.46 Favored Glycine 0 N--CA 1.44 -1.077 0 C-N-CA 120.985 -0.626 . . . . 0.97 112.357 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 17.3 mtm180 -111.04 7.36 21.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 117.221 0.51 . . . . 3.52 111.135 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -87.9 105.12 15.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-O 121.906 0.86 . . . . 0.5 111.098 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -53.5 -50.36 65.56 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 113.933 -1.485 . . . . 1.88 112.362 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 19.9 p -131.83 162.36 56.91 Favored Pre-proline 0 C--N 1.308 -1.22 0 CA-C-N 115.662 -0.699 . . . . 0.43 110.697 -177.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.52 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.4 Cg_exo -56.56 -28.18 73.0 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.456 2.771 . . . . 0.34 113.592 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.685 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 3.7 ptm180 -63.14 -33.55 75.7 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.442 -0.577 . . . . 2.05 109.442 178.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -72.89 -42.96 63.04 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 108.714 -0.847 . . . . 2.23 108.714 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.17 -40.91 97.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.686 -0.857 . . . . 1.17 108.686 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.622 ' HB2' HD22 ' A' ' 10' ' ' LEU . 60.7 tp -60.06 -53.53 56.72 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.64 -0.709 . . . . 0.6 109.767 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.05 -37.02 83.38 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.468 -0.787 . . . . 0.89 111.165 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.615 ' HG ' HD13 ' A' ' 60' ' ' ILE . 56.7 tp -54.63 -49.59 70.15 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.55 0.74 . . . . 1.06 110.54 177.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.583 HD13 HD12 ' A' ' 60' ' ' ILE . 46.7 mm -71.67 -44.82 68.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.8 -0.444 . . . . 0.62 109.8 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.459 HD22 ' HG ' ' A' ' 75' ' ' LEU . 95.3 m-20 -52.49 -53.08 50.61 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 116.261 -0.427 . . . . 1.45 111.202 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.86 -39.08 97.02 Favored Glycine 0 N--CA 1.441 -0.976 0 CA-C-N 115.644 -0.707 . . . . 0.48 113.012 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.76 -37.11 85.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.334 0.588 . . . . 0.56 110.188 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 56' ' ' TYR . 76.4 mt -71.27 -46.18 61.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.738 -0.665 . . . . 0.72 110.919 176.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.672 0 CA-C-O 121.169 0.509 . . . . 0.93 111.135 177.669 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.423 -1.785 0 N-CA-C 108.898 -0.779 . . . . 1.7 108.898 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.867 HD22 ' HA ' ' A' ' 79' ' ' ASN . 65.2 mt -89.87 158.18 17.56 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.931 -0.577 . . . . 1.02 109.935 -174.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.539 ' HG ' HG21 ' A' ' 78' ' ' ILE . 96.0 mt -72.61 147.87 45.41 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 116.255 -0.43 . . . . 1.37 110.4 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -87.15 -178.45 6.24 Favored 'General case' 0 N--CA 1.418 -2.034 0 N-CA-C 107.951 -1.129 . . . . 0.88 107.951 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.43 HG22 ' HE1' ' A' ' 30' ' ' PHE . 9.3 m -72.35 -37.57 68.8 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 107.864 -1.161 . . . . 0.7 107.864 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -65.22 -45.68 83.7 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.178 -0.919 . . . . 2.29 112.652 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.21 -32.21 71.32 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.476 -0.89 . . . . 1.83 110.09 -177.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.529 HD22 ' HB2' ' A' ' 75' ' ' LEU . 51.5 tp -69.41 -38.42 77.91 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.007 -0.738 . . . . 0.75 109.007 175.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 15' ' ' VAL . 22.8 ttp85 -57.93 -50.51 73.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.544 -0.753 . . . . 2.88 109.281 175.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -60.14 -45.66 92.28 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.056 -0.52 . . . . 3.46 110.555 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.649 ' HB2' HH21 ' A' ' 51' ' ' ARG . . . -51.58 -50.99 59.08 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 124.203 1.001 . . . . 0.63 111.804 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.2 tp -75.54 -27.25 58.6 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 114.683 -1.144 . . . . 0.62 111.986 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 11' ' ' ARG . 94.5 t -72.78 -45.38 56.81 Favored 'Isoleucine or valine' 0 C--O 1.248 0.997 0 N-CA-C 108.444 -0.946 . . . . 0.74 108.444 173.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -61.43 -23.77 66.07 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.468 -0.787 . . . . 2.04 112.02 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 m . . . . . 0 C--O 1.244 0.768 0 CA-C-O 120.673 0.273 . . . . 1.3 110.483 177.467 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.523 ' HA ' HD23 ' A' ' 33' ' ' LEU . 34.1 p90 . . . . . 0 N--CA 1.437 -1.102 0 N-CA-C 112.169 0.433 . . . . 0.73 112.169 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.825 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 1.8 mm? -78.66 -23.42 45.74 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.379 -0.528 . . . . 1.26 111.215 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -83.91 -26.75 29.11 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 120.869 0.366 . . . . 2.24 111.704 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 30' ' ' PHE . 3.5 mm? -69.74 144.5 52.73 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 109.091 -0.707 . . . . 1.73 109.091 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -90.34 158.06 17.32 Favored 'General case' 0 C--N 1.286 -2.157 0 N-CA-C 108.73 -0.841 . . . . 3.1 108.73 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -66.61 -31.38 72.03 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 120.566 -0.453 . . . . 0.43 110.599 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.91 -30.36 70.93 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.825 -0.625 . . . . 2.48 110.522 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.94 -41.95 77.39 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.187 0.518 . . . . 2.01 109.776 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.2 pt -89.82 18.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 113.18 0.807 . . . . 0.65 113.18 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.47 27.32 73.54 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 116.176 -0.466 . . . . 0.55 113.877 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -101.08 121.63 42.15 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 122.467 -0.431 . . . . 1.1 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -90.05 161.64 15.73 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.922 -0.769 . . . . 1.89 108.922 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.9 m -54.19 -34.26 60.11 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 124.974 1.31 . . . . 0.88 113.015 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.19 -32.6 72.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.923 0.392 . . . . 1.7 111.385 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.12 -26.73 61.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.102 0.477 . . . . 0.46 110.32 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.28 -30.4 69.41 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.647 -0.706 . . . . 0.31 110.311 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.463 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 78.2 mtp -65.79 -34.57 78.46 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 114.996 -1.002 . . . . 1.7 109.675 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.69 -46.57 75.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.844 -0.798 . . . . 1.92 108.844 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.9 m -56.62 -53.26 59.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.299 -0.864 . . . . 0.43 110.114 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.7 99.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.044 -0.525 . . . . 0.29 112.004 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.7 -33.52 75.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.011 0.375 . . . . 0.38 112.011 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.649 HH21 ' HB2' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -67.62 -24.45 65.47 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.471 -0.936 . . . . 2.54 108.471 178.218 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.2 mt -83.72 -34.93 24.79 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.684 -0.689 . . . . 0.4 110.685 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -56.92 -53.7 55.03 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 116.384 -0.371 . . . . 0.64 110.291 177.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 p -64.77 -31.11 72.19 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.204 -0.907 . . . . 1.33 111.171 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.502 ' HA ' ' HE ' ' A' ' 55' ' ' ARG . 1.5 tpm_? -69.36 -44.24 71.97 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.228 -0.896 . . . . 3.79 112.3 -176.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -110.25 -10.22 14.63 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.22 1.192 . . . . 1.17 114.22 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.3 52.53 4.49 Favored Glycine 0 C--N 1.297 -1.625 0 C-N-CA 119.74 -1.219 . . . . 0.91 110.539 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 p -127.69 173.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 N-CA-C 107.427 -1.323 . . . . 1.17 107.427 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.9 m -133.81 128.23 34.32 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 118.678 0.672 . . . . 1.6 110.795 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.2 mt -127.57 108.21 20.84 Favored Pre-proline 0 C--N 1.306 -1.309 0 N-CA-C 108.62 -0.882 . . . . 0.95 108.62 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.462 ' HD2' HG21 ' A' ' 64' ' ' VAL . 43.8 Cg_exo -58.85 157.53 28.18 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.978 2.452 . . . . 0.69 113.114 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.93 -54.21 38.13 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.972 1.309 . . . . 2.19 112.391 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 17.3 t70 -60.88 -40.05 91.54 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.899 -0.591 . . . . 2.48 111.131 -176.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.462 HG21 ' HD2' ' A' ' 61' ' ' PRO . 60.4 t -60.02 -56.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 124.881 1.272 . . . . 0.56 110.73 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.463 ' HB1' ' HA ' ' A' ' 46' ' ' MET . . . -56.34 -37.41 69.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.677 -0.692 . . . . 0.51 111.795 -177.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.53 23.43 36.21 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.334 -0.936 . . . . 0.97 112.242 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 13.0 tpt180 -100.55 -25.07 14.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.341 0.591 . . . . 3.52 109.695 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 73' ' ' GLU . 36.0 m -73.31 130.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.214 -0.903 . . . . 0.5 112.049 -174.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -88.88 -43.86 10.89 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.513 0.673 . . . . 1.88 110.839 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.7 p -115.96 154.23 48.34 Favored Pre-proline 0 C--N 1.303 -1.448 0 CA-C-N 115.698 -0.683 . . . . 0.43 110.066 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -58.5 -21.87 56.51 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.628 2.885 . . . . 0.34 113.883 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.825 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 13.6 ptp180 -67.0 -32.68 74.07 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-O 121.074 0.464 . . . . 2.05 110.098 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 31.1 mt-10 -72.57 -37.41 68.21 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.756 -0.656 . . . . 2.23 109.385 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.98 -39.69 87.25 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 107.778 -1.193 . . . . 1.17 107.778 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.529 ' HB2' HD22 ' A' ' 10' ' ' LEU . 56.8 tp -63.19 -43.57 97.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.539 -0.755 . . . . 0.6 109.649 176.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.31 -27.33 68.53 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.769 -0.65 . . . . 0.89 111.555 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 82.5 mt -60.73 -46.36 90.71 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.779 -0.823 . . . . 1.06 108.779 175.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.539 HG21 ' HG ' ' A' ' 5' ' ' LEU . 44.4 mm -66.45 -55.63 17.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.738 -1.119 . . . . 0.62 109.33 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.867 ' HA ' HD22 ' A' ' 4' ' ' LEU . 15.3 m120 -51.33 -53.61 34.42 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.903 0.752 . . . . 1.45 110.523 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.21 -49.64 75.76 Favored Glycine 0 N--CA 1.428 -1.878 0 CA-C-N 115.088 -0.96 . . . . 0.48 112.919 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.8 89.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 117.441 0.62 . . . . 0.56 111.459 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.12 -41.99 76.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.437 0.532 . . . . 0.72 112.437 -177.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.992 0 N-CA-C 112.203 0.446 . . . . 0.93 112.203 -177.008 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.1 m . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 121.155 0.502 . . . . 1.7 110.657 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.682 HD22 ' HA ' ' A' ' 79' ' ' ASN . 55.0 mt -66.82 121.9 16.5 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.862 -0.608 . . . . 1.02 109.735 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.41 148.28 43.46 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.041 -0.527 . . . . 1.37 110.435 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 p -91.89 -173.55 3.53 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 112.724 0.638 . . . . 0.88 112.724 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.421 ' CG2' HD21 ' A' ' 31' ' ' LEU . 30.1 m -66.07 -39.27 89.92 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 123.581 0.753 . . . . 0.7 110.047 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 3.7 m-20 -62.58 -39.74 94.68 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.948 -0.569 . . . . 2.29 112.154 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.38 -42.53 68.31 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 119.809 -0.756 . . . . 1.83 110.025 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.714 HD22 ' HB2' ' A' ' 75' ' ' LEU . 50.3 tp -54.67 -45.85 73.95 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 123.945 0.778 . . . . 0.75 109.598 176.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 15' ' ' VAL . 40.6 ttm180 -52.51 -51.4 59.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.274 -0.875 . . . . 2.88 110.789 177.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 76.2 mtm180 -63.37 -45.58 90.46 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.035 0.445 . . . . 3.46 111.061 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.73 64.96 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 0.63 111.811 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.3 tp -78.78 -41.26 30.97 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.808 -0.441 . . . . 0.62 109.808 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 11' ' ' ARG . 90.1 t -57.92 -34.14 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.576 0.351 . . . . 0.74 110.854 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 13.0 mm-40 -60.17 -34.61 73.82 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.048 -0.524 . . . . 2.04 110.832 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.645 0.736 . . . . 1.3 110.697 -178.554 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.2 p90 . . . . . 0 C--O 1.206 -1.196 0 CA-C-O 120.601 0.238 . . . . 0.73 110.672 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' ' HB ' ' A' ' 70' ' ' THR . 2.9 mm? -72.38 -27.77 62.59 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.407 -0.36 . . . . 1.26 111.748 -174.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -96.49 -12.29 24.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.628 0.728 . . . . 2.24 110.669 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.92 137.9 38.59 Favored 'General case' 0 CA--C 1.488 -1.434 0 CA-C-N 115.424 -0.807 . . . . 1.73 110.319 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -83.1 156.82 23.09 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-N 116.069 -0.514 . . . . 3.1 109.991 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.468 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 75.2 m-85 -69.11 -19.7 64.05 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 115.922 -0.581 . . . . 0.43 112.19 -175.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.75 -32.6 74.36 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 123.535 0.522 . . . . 2.48 110.635 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -72.34 -45.83 58.16 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.291 0.567 . . . . 2.01 110.813 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.9 pt -85.87 12.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 CA-C-N 115.508 -0.769 . . . . 0.65 112.84 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.57 41.17 72.73 Favored Glycine 0 N--CA 1.463 0.494 0 CA-C-N 115.556 -0.747 . . . . 0.55 113.546 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -95.72 135.33 37.56 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 112.82 0.674 . . . . 1.1 112.82 -177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.429 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.8 m-20 -85.32 148.93 25.79 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.549 -1.205 . . . . 1.89 108.416 174.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -61.53 -34.1 74.95 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.574 0.702 . . . . 0.88 109.107 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.15 -36.15 83.11 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.066 -0.97 . . . . 1.7 110.671 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.02 80.74 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.46 109.426 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 64.4 mt -63.41 -38.71 92.2 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.692 0.758 . . . . 0.31 109.51 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.0 mtp -63.13 -37.53 87.57 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.669 -1.15 . . . . 1.7 110.916 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.89 -38.86 79.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.791 -0.448 . . . . 1.92 109.791 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.479 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 29.9 m -52.95 -58.07 8.2 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.651 -0.704 . . . . 0.43 109.151 174.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.93 -37.4 86.88 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.801 -0.636 . . . . 0.29 111.225 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -59.51 -43.43 93.38 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.36 0.504 . . . . 0.38 112.36 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.3 ptp180 -70.05 -24.35 63.24 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.536 0.684 . . . . 2.54 109.98 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 48' ' ' THR . 83.9 mt -81.41 -32.94 32.49 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.697 -0.683 . . . . 0.4 109.551 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.484 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 47.0 mt-10 -55.73 -53.83 51.76 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.811 -0.631 . . . . 0.64 109.467 174.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.7 p -71.19 -24.63 62.26 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.176 -0.92 . . . . 1.33 112.66 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -79.99 -26.09 40.06 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.95 -0.3 . . . . 3.79 111.088 -177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -117.37 -10.66 10.68 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.289 1.218 . . . . 1.17 114.289 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.31 45.62 9.79 Favored Glycine 0 C--N 1.303 -1.264 0 C-N-CA 119.684 -1.246 . . . . 0.91 110.292 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 p -128.65 174.13 12.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 106.194 -1.78 . . . . 1.17 106.194 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 t -143.23 146.21 33.45 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-N 119.197 0.908 . . . . 1.6 110.027 177.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.34 114.94 10.68 Favored Pre-proline 0 C--N 1.307 -1.253 0 C-N-CA 123.951 0.9 . . . . 0.95 108.674 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.41 ' HB2' HG23 ' A' ' 64' ' ' VAL . 50.7 Cg_exo -56.39 147.04 70.32 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.914 2.409 . . . . 0.69 111.675 175.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -60.46 -29.68 69.19 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.784 0.434 . . . . 2.19 112.109 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.46 -15.1 62.78 Favored 'General case' 0 C--O 1.201 -1.498 0 N-CA-C 111.918 0.34 . . . . 2.48 111.918 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 61' ' ' PRO . 56.6 t -85.75 -56.5 5.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 109.238 -0.653 . . . . 0.56 109.238 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.55 74.41 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.38 -0.827 . . . . 0.51 111.962 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.25 39.65 2.78 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.548 -0.834 . . . . 0.97 111.071 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -145.53 17.13 1.49 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 122.361 1.077 . . . . 3.52 109.175 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.488 HG21 HD23 ' A' ' 74' ' ' LEU . 31.5 m -102.54 117.43 47.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 CA-C-N 115.353 -0.839 . . . . 0.5 109.74 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -67.44 -47.97 68.63 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 115.566 -0.743 . . . . 1.88 110.364 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 24.3 p -127.25 157.1 73.53 Favored Pre-proline 0 N--CA 1.427 -1.587 0 CA-C-N 115.592 -0.731 . . . . 0.43 110.502 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.468 ' HG3' ' CE1' ' A' ' 35' ' ' PHE . 31.9 Cg_exo -61.34 -16.9 49.97 Favored 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 123.47 2.78 . . . . 0.34 112.721 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.9 -40.04 83.3 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 109.333 -0.618 . . . . 2.05 109.333 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.636 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.9 mp0 -74.09 -38.6 63.84 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.944 -0.571 . . . . 2.23 110.646 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.52 HD22 HD12 ' A' ' 77' ' ' LEU . 1.8 tm? -62.28 -40.56 96.67 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 108.695 -0.854 . . . . 1.17 108.695 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.714 ' HB2' HD22 ' A' ' 10' ' ' LEU . 63.2 tp -65.05 -44.51 88.78 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 115.682 -0.69 . . . . 0.6 109.325 175.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.33 -36.32 81.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.831 -1.077 . . . . 0.89 112.165 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 90.6 mt -54.51 -50.45 67.78 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.402 0.62 . . . . 1.06 109.686 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.92 -52.59 47.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.915 -1.039 . . . . 0.62 110.584 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.682 ' HA ' HD22 ' A' ' 4' ' ' LEU . 12.6 m120 -60.47 -29.92 69.36 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.497 -0.32 . . . . 1.45 111.826 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.21 -54.44 4.75 Favored Glycine 0 N--CA 1.43 -1.709 0 C-N-CA 120.823 -0.703 . . . . 0.48 111.404 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.12 87.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.437 0.532 . . . . 0.56 112.437 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.5 mt -73.09 -16.82 61.46 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.774 0.657 . . . . 0.72 112.774 -176.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.248 0 CA-C-O 121.043 0.449 . . . . 0.93 111.343 -179.266 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.6 m . . . . . 0 N--CA 1.435 -1.183 0 N-CA-C 108.969 -0.752 . . . . 1.7 108.969 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.9 mt -89.84 133.6 34.64 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.739 -0.837 . . . . 1.02 108.739 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 56' ' ' TYR . 1.1 pp -75.42 147.29 40.07 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 120.136 -0.626 . . . . 1.37 111.75 176.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.1 p -97.82 -170.81 2.05 Favored 'General case' 0 C--N 1.293 -1.866 0 CA-C-N 115.168 -0.924 . . . . 0.88 110.521 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -64.29 -49.31 72.32 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 107.814 -1.18 . . . . 0.7 107.814 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.0 -38.85 92.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.83 -1.077 . . . . 2.29 111.73 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -62.67 -48.11 80.73 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 110.26 -0.274 . . . . 1.83 110.26 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 tp -56.72 -49.46 75.09 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 124.041 0.838 . . . . 0.75 109.816 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.5 ttp85 -51.74 -54.59 26.74 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.821 0.7 . . . . 2.88 111.522 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -62.44 -35.27 78.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.81 0.67 . . . . 3.46 112.81 -177.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.11 -45.23 58.19 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.391 0.615 . . . . 0.63 110.503 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.1 tp -63.31 -41.45 98.94 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 124.509 1.124 . . . . 0.62 112.228 -175.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.39 -17.46 16.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 122.259 1.028 . . . . 0.74 110.114 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -35.26 31.13 Favored 'General case' 0 N--CA 1.422 -1.837 0 N-CA-C 107.593 -1.262 . . . . 2.04 107.593 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.435 ' OG ' ' HD3' ' A' ' 51' ' ' ARG . 9.3 m . . . . . 0 C--O 1.242 0.695 0 CA-C-O 121.419 0.628 . . . . 1.3 110.048 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 49.4 p90 . . . . . 0 C--O 1.206 -1.197 0 CA-C-O 120.773 0.32 . . . . 0.73 110.174 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.682 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 2.6 mm? -68.35 -27.84 66.61 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.092 -0.504 . . . . 1.26 111.541 -173.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -97.25 -4.31 39.09 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.189 -0.46 . . . . 2.24 110.909 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.5 tp -81.52 106.08 13.19 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.588 -0.893 . . . . 1.73 108.588 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.406 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 64.7 mtp180 -60.85 141.76 56.81 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.337 -0.847 . . . . 3.1 111.293 -176.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.486 ' HB3' ' HB2' ' A' ' 40' ' ' TYR . 56.0 m-85 -64.5 -31.27 72.41 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.087 -0.96 . . . . 0.43 111.427 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -54.93 -44.62 74.41 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.361 0.665 . . . . 2.48 110.354 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 36.2 m-20 -69.47 -26.55 64.63 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.26 -0.427 . . . . 2.01 111.894 -176.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.8 pt -106.49 19.62 5.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 113.431 0.9 . . . . 0.65 113.431 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.43 42.34 99.08 Favored Glycine 0 C--N 1.319 -0.407 0 CA-C-N 115.746 -0.661 . . . . 0.55 114.273 176.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.486 ' HB2' ' HB3' ' A' ' 35' ' ' PHE . 6.7 m-85 -106.67 109.43 21.33 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 122.398 -0.472 . . . . 1.1 110.829 177.017 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -79.47 164.67 23.76 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.853 -1.165 . . . . 1.89 107.853 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.4 m -52.26 -35.33 49.63 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.357 0.411 . . . . 0.88 111.059 175.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.11 -40.91 71.01 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.544 0.738 . . . . 1.7 111.369 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.91 -32.43 57.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.498 0.666 . . . . 0.46 110.737 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 mt -75.47 -42.91 51.92 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.869 -0.605 . . . . 0.31 110.434 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.3 mtt -64.27 -36.75 85.12 Favored 'General case' 0 CA--C 1.5 -0.962 0 CA-C-N 115.71 -0.677 . . . . 1.7 109.782 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 8.0 tp10 -58.66 -50.56 73.41 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.89 -0.781 . . . . 1.92 108.89 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.546 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 91.7 m -55.64 -51.2 68.01 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 114.5 -1.227 . . . . 0.43 110.54 177.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -59.57 -46.03 90.12 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 121.087 -0.245 . . . . 0.29 110.908 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -57.58 -48.66 78.75 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.469 0.708 . . . . 0.38 112.702 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 11.2 ptm180 -64.45 -30.99 72.02 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.198 0.523 . . . . 2.54 111.273 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 48' ' ' THR . 95.3 mt -75.97 -35.78 59.51 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.356 -0.383 . . . . 0.4 110.412 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 47.5 mt-10 -55.27 -48.54 73.88 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.577 0.548 . . . . 0.64 109.675 176.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.1 m -61.68 -34.36 75.61 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.93 -1.032 . . . . 1.33 113.336 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.473 ' HD2' ' CE2' ' A' ' 56' ' ' TYR . 36.5 ttm180 -87.03 -42.73 12.86 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.954 0.407 . . . . 3.79 111.885 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.499 ' CE2' HD23 ' A' ' 5' ' ' LEU . 99.3 m-85 -96.14 -18.43 20.13 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 114.452 1.279 . . . . 1.17 114.452 -170.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.81 62.31 2.15 Favored Glycine 0 C--N 1.309 -0.968 0 C-N-CA 119.716 -1.231 . . . . 0.91 110.722 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.507 ' CG1' ' HA ' ' A' ' 53' ' ' GLU . 7.1 p -136.87 151.93 28.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 108.017 -1.105 . . . . 1.17 108.017 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.2 m -116.25 116.81 28.45 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.472 -0.566 . . . . 1.6 109.472 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.502 HD11 HD13 ' A' ' 78' ' ' ILE . 63.2 mt -122.43 109.35 32.97 Favored Pre-proline 0 C--N 1.311 -1.1 0 CA-C-O 120.803 0.335 . . . . 0.95 110.33 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.96 157.37 53.2 Favored 'Trans proline' 0 C--O 1.255 1.345 0 C-N-CA 123.301 2.667 . . . . 0.69 113.6 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -49.86 -59.01 4.25 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.148 1.779 . . . . 2.19 112.995 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 24.5 t70 -53.68 -42.65 68.16 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.005 0.522 . . . . 2.48 111.315 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.44 -59.49 4.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 114.424 -1.262 . . . . 0.56 110.995 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.29 -16.16 61.6 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.772 0.656 . . . . 0.51 112.772 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.23 4.46 44.59 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.229 -0.986 . . . . 0.97 111.757 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 42.5 ttp180 -104.42 -13.81 15.95 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.284 0.564 . . . . 3.52 110.044 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.553 HG11 HD11 ' A' ' 77' ' ' LEU . 31.1 m -72.97 105.41 2.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-O 121.82 0.819 . . . . 0.5 111.786 -177.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.18 -40.91 67.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.506 -0.77 . . . . 1.88 112.383 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 25.5 p -122.56 158.04 57.54 Favored Pre-proline 0 C--N 1.303 -1.424 0 CA-C-N 116.267 -0.424 . . . . 0.43 110.986 -177.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.682 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.8 Cg_exo -57.87 -18.68 35.83 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 123.167 2.578 . . . . 0.34 112.138 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 31' ' ' LEU . 37.4 mmt180 -50.68 -53.96 26.92 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 108.603 -0.888 . . . . 2.05 108.603 172.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.57 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 6.1 mm-40 -66.35 -49.27 67.49 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 113.563 -1.653 . . . . 2.23 110.735 -175.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.44 -42.72 96.7 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.917 -0.583 . . . . 1.17 109.99 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.2 tp -65.95 -44.2 85.69 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 108.927 -0.768 . . . . 0.6 108.927 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -59.06 -41.15 87.23 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 114.502 -1.226 . . . . 0.89 111.295 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 77.5 mt -52.61 -55.06 25.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.437 0.695 . . . . 1.06 110.576 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.502 HD13 HD11 ' A' ' 60' ' ' ILE . 36.6 mm -65.07 -60.56 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-N 114.588 -1.187 . . . . 0.62 110.137 -177.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -50.14 -52.99 30.64 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.712 0.633 . . . . 1.45 112.443 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.27 99.35 Favored Glycine 0 C--O 1.239 0.461 0 O-C-N 123.49 0.494 . . . . 0.48 113.565 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.42 -34.62 67.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.811 0.339 . . . . 0.56 111.296 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 56' ' ' TYR . 79.2 mt -73.36 -21.97 60.4 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.723 0.297 . . . . 0.72 111.328 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 CA-C-O 120.807 0.337 . . . . 0.93 110.976 178.557 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.433 -1.277 0 CA-C-O 122.455 1.122 . . . . 1.7 109.047 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 79' ' ' ASN . 89.1 mt -101.2 132.6 46.62 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.992 -1.004 . . . . 1.02 108.873 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 1.9 pt? -75.37 139.79 42.6 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.149 -0.478 . . . . 1.37 110.367 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.9 p -101.89 -169.33 1.66 Allowed 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.591 -0.731 . . . . 0.88 109.213 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.583 HG23 HD21 ' A' ' 31' ' ' LEU . 28.0 m -55.24 -54.45 43.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.029 0.532 . . . . 0.7 111.213 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 24.3 t70 -63.32 -38.13 89.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.984 0.365 . . . . 2.29 111.984 -177.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 26.6 m-20 -60.64 -47.07 87.87 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 108.906 -0.775 . . . . 1.83 108.906 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.404 HD22 ' HB2' ' A' ' 75' ' ' LEU . 62.1 tp -63.15 -42.1 99.39 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.163 -0.926 . . . . 0.75 110.223 178.47 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.2 ttp85 -53.4 -52.92 57.77 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 123.51 0.506 . . . . 2.88 110.676 178.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 68.3 mtt180 -57.23 -48.87 77.74 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 123.685 0.616 . . . . 3.46 110.641 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.65 -31.17 70.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.833 -0.622 . . . . 0.63 112.466 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD13 HG21 ' A' ' 48' ' ' THR . 58.2 tp -81.94 -34.19 29.95 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.447 -0.342 . . . . 0.62 111.367 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 11' ' ' ARG . 50.5 t -75.34 -23.73 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.825 -0.806 . . . . 0.74 108.825 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.97 -36.7 77.68 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.142 -0.935 . . . . 2.04 110.027 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.44 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 13.8 m . . . . . 0 CA--C 1.548 0.893 0 CA-C-O 120.871 0.367 . . . . 1.3 111.328 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.52 ' HA ' HD23 ' A' ' 33' ' ' LEU . 43.4 p90 . . . . . 0 N--CA 1.439 -1.009 0 N-CA-C 109.697 -0.483 . . . . 0.73 109.697 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.642 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.0 mm? -78.92 -23.59 44.62 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.216 -0.447 . . . . 1.26 112.176 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -93.79 3.65 55.11 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.686 0.625 . . . . 2.24 112.686 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 30' ' ' PHE . 3.2 mm? -99.8 149.84 22.95 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 109.512 -0.551 . . . . 1.73 109.512 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -89.02 146.45 24.85 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.443 0.639 . . . . 3.1 112.326 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.665 ' HA ' HG12 ' A' ' 38' ' ' ILE . 62.6 m-85 -64.1 -32.17 73.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.127 -0.942 . . . . 0.43 112.633 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -23.55 63.95 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 112.525 0.565 . . . . 2.48 112.525 -178.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -87.78 -25.91 23.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.127 0.489 . . . . 2.01 110.619 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.665 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -90.09 18.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 112.453 0.538 . . . . 0.65 112.453 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.23 32.41 65.47 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.55 113.964 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 1.4 m-85 -110.76 138.55 47.02 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 113.491 0.922 . . . . 1.1 113.491 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 32.0 m-20 -94.5 166.19 12.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 115.29 -0.868 . . . . 1.89 109.66 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -66.55 -41.54 88.5 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.99 0.9 . . . . 0.88 108.685 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.52 -31.31 72.31 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.337 -1.301 . . . . 1.7 110.08 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.2 -23.83 54.65 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.619 -0.719 . . . . 0.46 110.333 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 40.2 mt -74.78 -39.36 61.8 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 108.851 -0.796 . . . . 0.31 108.851 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.6 mtt -63.2 -42.34 99.29 Favored 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 114.842 -1.072 . . . . 1.7 108.324 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -58.64 -44.46 90.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.595 0.758 . . . . 1.92 110.301 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.481 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 96.0 m -61.74 -52.46 64.17 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.406 -0.815 . . . . 0.43 109.984 177.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.46 -36.32 77.97 Favored 'General case' 0 C--O 1.203 -1.344 0 CA-C-N 116.163 -0.471 . . . . 0.29 110.984 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.16 76.06 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.642 0.777 . . . . 0.38 112.679 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.5 ptp180 -70.19 -33.62 71.95 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 119.686 -0.806 . . . . 2.54 109.255 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.3 -40.52 74.21 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.395 -0.821 . . . . 0.4 109.961 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.581 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.2 mt-10 -59.29 -46.66 87.95 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 123.119 0.568 . . . . 0.64 109.981 176.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 m -63.14 -48.53 78.08 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.015 0.822 . . . . 1.33 110.966 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -68.36 -53.74 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.502 0.556 . . . . 3.79 112.502 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -83.7 -15.78 47.45 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.492 0.923 . . . . 1.17 113.492 -172.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.19 63.31 2.18 Favored Glycine 0 C--O 1.243 0.712 0 C-N-CA 120.654 -0.784 . . . . 0.91 111.305 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 53' ' ' GLU . 14.3 p -141.67 169.04 14.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 108.98 -0.748 . . . . 1.17 108.98 -177.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -134.62 121.83 21.44 Favored 'General case' 0 C--O 1.248 0.994 0 N-CA-C 109.095 -0.706 . . . . 1.6 109.095 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.545 HD11 HD13 ' A' ' 78' ' ' ILE . 64.2 mt -125.32 124.49 25.18 Favored Pre-proline 0 C--N 1.316 -0.881 0 N-CA-C 109.82 -0.437 . . . . 0.95 109.82 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.469 ' HB2' HG23 ' A' ' 64' ' ' VAL . 45.7 Cg_exo -59.33 142.73 99.5 Favored 'Trans proline' 0 C--O 1.253 1.233 0 C-N-CA 122.891 2.394 . . . . 0.69 111.43 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -57.94 -46.66 84.71 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 115.663 -0.699 . . . . 2.19 111.467 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -53.93 -43.13 69.51 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.511 0.507 . . . . 2.48 111.334 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.469 HG23 ' HB2' ' A' ' 61' ' ' PRO . 58.1 t -62.19 -55.98 20.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 114.97 -1.014 . . . . 0.56 109.799 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.414 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -59.34 -31.26 69.02 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 115.856 -0.611 . . . . 0.51 111.793 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.91 -1.68 88.77 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.519 -0.848 . . . . 0.97 113.054 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -118.2 14.83 14.0 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.993 0.738 . . . . 3.52 112.993 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 74' ' ' LEU . 17.4 m -89.05 105.51 15.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 108.685 -0.857 . . . . 0.5 108.685 174.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.78 -51.22 70.47 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.262 -0.881 . . . . 1.88 111.123 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -114.51 152.44 46.16 Favored Pre-proline 0 C--N 1.312 -1.044 0 CA-C-N 115.469 -0.787 . . . . 0.43 110.931 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 33' ' ' LEU . 42.1 Cg_exo -60.14 -23.68 74.46 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 123.641 2.894 . . . . 0.34 113.311 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.642 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.8 ttm180 -62.27 -37.43 85.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.199 0.523 . . . . 2.05 110.434 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.517 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 35.7 mt-10 -69.19 -39.55 78.61 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.284 -0.871 . . . . 2.23 110.019 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.498 HD22 HD12 ' A' ' 77' ' ' LEU . 3.0 tm? -68.19 -38.94 82.53 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.829 -0.804 . . . . 1.17 108.829 178.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.404 ' HB2' HD22 ' A' ' 10' ' ' LEU . 53.4 tp -57.94 -50.51 73.11 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 123.788 0.835 . . . . 0.6 109.387 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -59.52 -35.11 73.54 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 115.166 -0.924 . . . . 0.89 113.014 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 86.8 mt -57.34 -43.6 83.58 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.404 0.44 . . . . 1.06 110.741 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.545 HD13 HD11 ' A' ' 60' ' ' ILE . 36.0 mm -72.71 -57.13 7.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.49 -0.93 . . . . 0.62 108.49 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.453 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.0 m120 -47.5 -54.57 11.19 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.777 0.831 . . . . 1.45 112.355 -178.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.99 -47.12 86.14 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.932 -0.576 . . . . 0.48 113.441 -176.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.54 73.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.962 0.381 . . . . 0.56 111.803 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.13 -43.98 63.87 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 121.01 -0.276 . . . . 0.72 110.48 177.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.999 -0.546 . . . . 0.93 111.26 -179.431 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.472 HG23 ' HD1' ' A' ' 56' ' ' TYR . 6.0 t . . . . . 0 N--CA 1.42 -1.926 0 N-CA-C 107.233 -1.395 . . . . 1.7 107.233 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.3 mt -74.44 129.79 38.42 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.169 -0.923 . . . . 1.02 110.64 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.493 HD23 ' CE2' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -71.05 147.41 48.56 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.835 -0.621 . . . . 1.37 111.301 176.132 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -102.89 -170.2 1.76 Allowed 'General case' 0 N--CA 1.411 -2.394 0 CA-C-N 115.182 -0.917 . . . . 0.88 110.843 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.635 HG23 HD21 ' A' ' 31' ' ' LEU . 26.9 m -65.46 -48.33 73.05 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 123.943 0.897 . . . . 0.7 109.356 -177.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.76 -30.89 71.79 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.003 -0.544 . . . . 2.29 111.152 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -66.81 -50.09 63.73 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 116.502 -0.317 . . . . 1.83 110.468 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 75' ' ' LEU . 48.1 tp -64.49 -36.17 83.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.01 -0.541 . . . . 0.75 110.144 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.532 ' O ' HG23 ' A' ' 15' ' ' VAL . 59.0 ttt180 -55.79 -57.2 13.01 Favored 'General case' 0 CA--C 1.517 -0.289 0 O-C-N 123.678 0.611 . . . . 2.88 109.542 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -60.15 -41.73 93.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.512 -0.767 . . . . 3.46 111.673 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.55 -28.79 68.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.264 -0.426 . . . . 0.63 112.145 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.5 tp -85.6 -23.65 27.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.521 0.677 . . . . 0.62 110.474 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 11' ' ' ARG . 57.9 t -77.51 -28.18 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.354 -0.98 . . . . 0.74 108.354 173.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.68 -39.24 90.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.753 -1.112 . . . . 2.04 109.759 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.555 ' HB3' HH22 ' A' ' 51' ' ' ARG . 1.8 p . . . . . 0 C--N 1.316 -0.878 0 CA-C-O 121.271 0.557 . . . . 1.3 111.812 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.443 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 40.8 p90 . . . . . 0 C--O 1.207 -1.142 0 N-CA-C 111.535 0.198 . . . . 0.73 111.535 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.635 HD21 HG23 ' A' ' 7' ' ' THR . 2.4 mm? -78.2 -26.67 47.63 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.155 -0.683 . . . . 1.26 109.155 -177.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.87 -30.93 45.32 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.182 -1.372 . . . . 2.24 110.124 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.5 mt -71.69 123.73 23.2 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 108.023 -1.103 . . . . 1.73 108.023 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -78.15 158.06 29.21 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 109.36 -0.607 . . . . 3.1 109.36 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -66.97 -21.04 65.98 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.15 0.5 . . . . 0.43 110.585 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.51 -26.06 64.35 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.201 -0.909 . . . . 2.48 109.417 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -79.6 -38.7 33.34 Favored 'General case' 0 CA--C 1.505 -0.782 0 O-C-N 121.921 -0.487 . . . . 2.01 110.265 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.6 pt -98.21 11.92 5.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 113.373 0.879 . . . . 0.65 113.373 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.08 45.18 96.61 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 115.844 -0.616 . . . . 0.55 114.163 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -106.47 125.61 51.22 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 113.066 0.765 . . . . 1.1 113.066 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.542 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 35.4 t70 -90.86 165.45 13.6 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.777 -1.102 . . . . 1.89 110.9 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -58.46 -46.26 86.94 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 125.118 1.367 . . . . 0.88 110.724 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.418 ' HA ' ' SD ' ' A' ' 46' ' ' MET . 7.9 mp -67.69 -27.41 66.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.044 0.449 . . . . 1.7 111.394 -177.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.85 -37.2 62.29 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.844 -0.616 . . . . 0.46 109.503 177.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 83.9 mt -65.44 -39.18 91.76 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.677 -0.692 . . . . 0.31 110.321 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.478 ' HE3' ' HB3' ' A' ' 62' ' ' ASP . 71.3 mtp -59.09 -47.88 83.64 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.09 -0.959 . . . . 1.7 110.26 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -58.59 -43.38 89.47 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.083 -0.71 . . . . 1.92 109.083 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.568 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 72.0 m -59.83 -54.94 40.41 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.844 -1.071 . . . . 0.43 110.543 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.04 -38.42 88.63 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 112.117 0.414 . . . . 0.29 112.117 -178.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -56.65 -39.22 73.33 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.265 0.555 . . . . 0.38 111.813 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.568 ' NH2' ' HA ' ' A' ' 48' ' ' THR . 13.4 ttp-105 -64.04 -32.53 74.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.621 -0.718 . . . . 2.54 111.067 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt -79.36 -37.22 37.94 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 115.575 -0.739 . . . . 0.4 110.293 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.518 ' OE2' ' HA ' ' A' ' 50' ' ' ALA . 45.2 mt-10 -54.52 -59.33 4.83 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 123.785 0.678 . . . . 0.64 110.914 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -65.49 -24.38 67.14 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.272 -0.877 . . . . 1.33 111.991 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -81.93 -45.53 15.3 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 112.144 0.424 . . . . 3.79 112.144 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.493 ' CE2' HD23 ' A' ' 5' ' ' LEU . 97.9 m-85 -96.51 -11.9 24.85 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.39 0.515 . . . . 1.17 112.39 -175.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.47 63.41 1.56 Allowed Glycine 0 N--CA 1.433 -1.538 0 C-N-CA 120.673 -0.775 . . . . 0.91 111.816 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 p -149.29 167.59 3.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 107.518 -1.29 . . . . 1.17 107.518 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 p -141.62 121.74 13.8 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.037 0.446 . . . . 1.6 110.722 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.403 HD12 HD13 ' A' ' 78' ' ' ILE . 69.2 mt -126.35 125.28 24.56 Favored Pre-proline 0 C--N 1.3 -1.578 0 N-CA-C 108.791 -0.818 . . . . 0.95 108.791 -177.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HB2' HG23 ' A' ' 64' ' ' VAL . 93.4 Cg_exo -47.14 140.78 13.78 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.683 2.922 . . . . 0.69 113.038 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.478 ' HB3' ' HE3' ' A' ' 46' ' ' MET . 14.0 m-20 -53.24 -51.86 60.82 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 124.729 1.212 . . . . 2.19 111.893 -174.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -53.77 -44.22 69.87 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.808 0.843 . . . . 2.48 111.876 -177.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 61' ' ' PRO . 63.0 t -56.55 -44.52 80.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 124.653 1.181 . . . . 0.56 111.204 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.3 -25.85 66.07 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.825 -0.625 . . . . 0.51 111.941 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.75 0.75 67.75 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.712 -0.756 . . . . 0.97 112.468 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -89.24 -4.83 58.04 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 122.17 -0.606 . . . . 3.52 111.566 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.1 m -86.71 119.88 35.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-O 121.768 0.794 . . . . 0.5 111.36 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -84.67 -34.05 23.09 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.187 -0.915 . . . . 1.88 108.856 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 p -120.83 145.05 40.41 Favored Pre-proline 0 N--CA 1.433 -1.305 0 CA-C-N 114.642 -1.163 . . . . 0.43 110.097 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 31.3 Cg_exo -62.85 -19.8 69.62 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 123.434 2.756 . . . . 0.34 111.842 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.75 -41.28 77.27 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.623 -0.717 . . . . 2.05 109.551 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 67.0 mm-40 -74.66 -39.77 61.84 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.342 -0.845 . . . . 2.23 110.82 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.16 -45.23 95.47 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 108.21 -1.033 . . . . 1.17 108.21 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.452 HD12 HD13 ' A' ' 5' ' ' LEU . 37.5 tp -57.65 -50.17 74.04 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 124.057 0.943 . . . . 0.6 109.025 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.57 -35.97 79.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.523 -1.217 . . . . 0.89 111.956 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 77.9 mt -56.61 -54.26 48.13 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 120.823 0.344 . . . . 1.06 110.406 177.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.403 HD13 HD12 ' A' ' 60' ' ' ILE . 39.9 mm -64.74 -51.55 65.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.488 -0.778 . . . . 0.62 109.611 -177.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -52.37 -53.61 42.53 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.562 0.539 . . . . 1.45 110.868 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.08 -48.71 84.66 Favored Glycine 0 C--O 1.218 -0.888 0 CA-C-N 115.691 -0.686 . . . . 0.48 112.946 -177.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.07 -37.44 85.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.02 0.41 . . . . 0.56 111.773 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.12 -43.85 70.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.515 0.198 . . . . 0.72 110.556 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.214 0.53 . . . . 0.93 111.849 -177.809 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.427 -1.593 0 CA-C-O 122.413 1.102 . . . . 1.7 109.388 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.95 125.52 31.49 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 114.606 -1.179 . . . . 1.02 108.371 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.98 146.36 39.63 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 110.023 -0.362 . . . . 1.37 110.023 -176.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.3 p -92.84 -170.77 2.53 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 112.85 0.685 . . . . 0.88 112.85 -172.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.4 m -59.22 -54.45 46.75 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.829 0.852 . . . . 0.7 110.226 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.426 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 24.8 t70 -66.03 -28.26 68.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.571 -0.286 . . . . 2.29 111.331 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.57 -52.17 64.45 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.604 -0.517 . . . . 1.83 109.604 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.603 HD22 ' HB2' ' A' ' 75' ' ' LEU . 57.3 tp -62.23 -41.99 98.91 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.78 -0.646 . . . . 0.75 109.47 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.3 ttm180 -50.78 -57.28 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.368 1.067 . . . . 2.88 110.75 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 51.5 mtt180 -68.11 -39.81 82.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.62 -0.264 . . . . 3.46 111.389 -177.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.6 73.75 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.295 0.48 . . . . 0.63 112.295 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.2 tp -77.01 -37.42 55.01 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.825 -0.435 . . . . 0.62 109.825 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 11' ' ' ARG . 94.8 t -62.18 -36.66 75.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 CA-C-N 116.197 -0.456 . . . . 0.74 109.83 176.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 31.5 mm-40 -56.16 -33.61 65.39 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.69 -0.687 . . . . 2.04 111.358 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.239 0.53 0 CA-C-O 121.156 0.503 . . . . 1.3 111.179 -179.882 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 33' ' ' LEU . 33.1 p90 . . . . . 0 C--O 1.203 -1.356 0 CA-C-O 120.397 0.141 . . . . 0.73 111.199 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.6 mm? -69.27 -36.99 77.65 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.774 -0.37 . . . . 1.26 111.442 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.56 -3.3 33.68 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.288 -0.565 . . . . 2.24 110.379 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 30' ' ' PHE . 59.7 tp -73.36 106.07 5.02 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.442 -0.948 . . . . 1.73 108.442 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -63.84 149.55 46.73 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.904 -0.589 . . . . 3.1 112.338 -171.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -66.53 -29.15 69.18 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.423 -0.808 . . . . 0.43 111.146 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.22 -25.1 66.75 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.077 0.465 . . . . 2.48 110.268 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -82.43 -37.63 25.2 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 120.86 0.362 . . . . 2.01 110.511 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.7 pt -90.05 14.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 112.653 0.612 . . . . 0.65 112.653 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.74 49.17 75.29 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.511 -0.768 . . . . 0.55 114.081 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.54 126.61 55.12 Favored 'General case' 0 N--CA 1.423 -1.784 0 N-CA-C 112.292 0.479 . . . . 1.1 112.292 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.501 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 39.0 m-20 -97.97 174.72 6.42 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.884 -1.154 . . . . 1.89 107.884 175.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' MET . 65.2 m -59.04 -39.04 80.78 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.187 1.18 . . . . 0.88 114.187 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.3 -43.12 96.58 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.603 0.594 . . . . 1.7 112.603 -177.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.36 73.82 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.145 0.498 . . . . 0.46 110.841 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 45.9 mt -72.17 -39.34 68.77 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.407 -0.59 . . . . 0.31 109.407 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.424 ' HG3' ' O ' ' A' ' 42' ' ' SER . 60.0 mtt -65.88 -42.65 90.05 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 115.126 -0.943 . . . . 1.7 109.786 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.35 -43.56 83.57 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 121.77 0.795 . . . . 1.92 109.232 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.544 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 86.1 m -61.52 -56.18 22.81 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.974 -1.012 . . . . 0.43 110.546 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.85 90.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.61 0.243 . . . . 0.29 111.342 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.25 82.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.931 0.715 . . . . 0.38 112.931 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 48' ' ' THR . 5.3 ptp180 -69.61 -32.77 71.68 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 119.856 -0.738 . . . . 2.54 109.33 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.59 -33.73 66.93 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.435 -0.802 . . . . 0.4 110.016 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -55.3 -59.72 4.4 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 123.714 0.634 . . . . 0.64 110.034 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.2 m -61.74 -28.23 69.28 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 114.912 -1.04 . . . . 1.33 112.0 -176.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -81.12 -44.95 17.17 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.932 -0.577 . . . . 3.79 111.914 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -101.29 -9.96 20.74 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 114.318 1.229 . . . . 1.17 114.318 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.21 58.03 2.68 Favored Glycine 0 C--O 1.248 0.973 0 C-N-CA 120.521 -0.847 . . . . 0.91 112.155 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.8 p -145.54 134.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 108.537 -0.912 . . . . 1.17 108.537 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.1 m -106.07 118.74 37.41 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 120.82 0.343 . . . . 1.6 110.662 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.669 HD12 HD13 ' A' ' 78' ' ' ILE . 79.7 mt -131.78 124.67 19.94 Favored Pre-proline 0 C--N 1.31 -1.137 0 N-CA-C 108.924 -0.769 . . . . 0.95 108.924 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.579 ' HB2' HG23 ' A' ' 64' ' ' VAL . 38.4 Cg_exo -55.54 135.48 69.47 Favored 'Trans proline' 0 C--O 1.243 0.742 0 C-N-CA 123.142 2.561 . . . . 0.69 112.405 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -55.44 -38.65 69.28 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 123.839 0.855 . . . . 2.19 112.01 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -65.47 -21.32 66.63 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.728 0.299 . . . . 2.48 111.687 -176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 61' ' ' PRO . 61.3 t -71.31 -35.05 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.342 0.591 . . . . 0.56 109.877 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.13 -7.85 54.07 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.956 -0.565 . . . . 0.51 111.275 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.54 18.31 55.39 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 111.252 -0.739 . . . . 0.97 111.252 177.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -114.53 -0.96 13.53 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.477 0.656 . . . . 3.52 109.849 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.491 HG21 HD23 ' A' ' 74' ' ' LEU . 26.5 m -95.21 118.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-O 121.629 0.728 . . . . 0.5 111.514 -174.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -85.91 -35.66 20.38 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.99 -1.004 . . . . 1.88 108.777 -177.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -121.5 148.22 49.61 Favored Pre-proline 0 CA--C 1.552 1.04 0 CA-C-N 115.038 -0.983 . . . . 0.43 110.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.28 -24.53 77.63 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.966 3.111 . . . . 0.34 113.351 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.502 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 41.9 ttm180 -59.03 -36.62 75.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.184 0.516 . . . . 2.05 110.133 177.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 33.8 mt-10 -72.89 -40.98 65.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.313 -0.858 . . . . 2.23 109.911 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.491 HD23 HG21 ' A' ' 68' ' ' VAL . 3.0 tm? -63.74 -41.18 98.08 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.991 -0.744 . . . . 1.17 108.991 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.603 ' HB2' HD22 ' A' ' 10' ' ' LEU . 58.5 tp -60.35 -44.31 95.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.293 -0.867 . . . . 0.6 109.626 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.7 -29.78 69.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.057 -0.974 . . . . 0.89 111.834 -177.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 85.9 mt -62.83 -50.26 71.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.98 0.419 . . . . 1.06 110.209 177.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.669 HD13 HD12 ' A' ' 60' ' ' ILE . 49.4 mm -68.75 -63.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.462 -0.79 . . . . 0.62 109.806 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.66 -33.77 74.54 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.603 -0.726 . . . . 1.45 111.945 -175.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.04 -37.96 92.28 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.484 -0.389 . . . . 0.48 112.254 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.57 -35.24 65.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.175 0.512 . . . . 0.56 109.684 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.22 -31.73 71.45 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 115.892 -0.594 . . . . 0.72 110.767 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 C-N-CA 122.816 0.446 . . . . 0.93 111.768 179.592 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.445 -0.72 0 CA-C-O 121.387 0.613 . . . . 1.7 109.836 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.29 121.52 23.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.978 -0.379 . . . . 1.02 109.978 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.643 HD23 ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -69.47 150.41 47.23 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 112.938 0.718 . . . . 1.37 112.938 178.617 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.5 p -106.05 -170.44 1.73 Allowed 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.603 -0.726 . . . . 0.88 111.88 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.5 m -66.77 -37.53 84.79 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.18 -0.674 . . . . 0.7 109.18 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 20.7 m-20 -54.92 -50.16 69.5 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 115.825 -0.625 . . . . 2.29 110.245 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.24 -47.39 70.92 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.024 -0.989 . . . . 1.83 110.488 -177.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.623 HD22 ' HB2' ' A' ' 75' ' ' LEU . 54.5 tp -56.0 -44.09 78.3 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.754 0.658 . . . . 0.75 110.733 178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ttp-105 -59.61 -55.32 35.98 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.803 -0.635 . . . . 2.88 110.559 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 65.3 mtt180 -59.8 -40.36 88.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.773 -0.649 . . . . 3.46 110.347 -178.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . -67.53 -42.66 82.38 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.62 0.575 . . . . 0.63 112.296 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 tp -69.52 -40.9 76.64 Favored 'General case' 0 C--N 1.309 -1.164 0 O-C-N 121.958 -0.464 . . . . 0.62 110.838 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.2 t -70.29 -17.4 20.76 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 CA-C-O 121.995 0.903 . . . . 0.74 109.769 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 33.0 tt0 -79.61 -31.56 41.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.032 -0.985 . . . . 2.04 109.101 177.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.586 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 43.8 m . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.313 0.578 . . . . 1.3 109.807 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.2 p90 . . . . . 0 C--O 1.207 -1.157 0 CA-C-O 120.705 0.288 . . . . 0.73 110.3 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.597 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 6.5 mp -66.9 -28.4 68.28 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 114.387 1.254 . . . . 1.26 114.387 -173.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.4 11.89 18.62 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.838 0.827 . . . . 2.24 109.643 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.7 tp -90.09 102.56 15.28 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 106.569 -1.641 . . . . 1.73 106.569 176.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -57.38 150.61 17.97 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 113.302 0.853 . . . . 3.1 113.302 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' HA ' HG12 ' A' ' 38' ' ' ILE . 77.9 m-85 -71.2 -37.44 72.09 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.822 -1.081 . . . . 0.43 109.732 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.56 -31.94 73.38 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.604 -0.887 . . . . 2.48 108.604 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -81.6 -10.52 59.41 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.83 -1.077 . . . . 2.01 110.772 -176.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.555 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.8 pt -118.91 18.36 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 116.31 -0.404 . . . . 0.65 110.646 175.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.1 42.13 99.69 Favored Glycine 0 CA--C 1.525 0.68 0 CA-C-N 115.455 -0.793 . . . . 0.55 114.62 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.87 147.35 28.82 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 117.134 0.467 . . . . 1.1 110.459 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -96.25 148.67 22.5 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.87 -0.789 . . . . 1.89 108.87 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.491 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 48.1 m -65.12 -24.48 67.43 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.871 0.367 . . . . 0.88 111.799 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.34 -32.09 72.79 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.064 0.459 . . . . 1.7 109.829 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.29 -24.57 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.653 -0.703 . . . . 0.46 110.111 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.491 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 50.4 mt -70.82 -37.73 73.23 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.859 -0.793 . . . . 0.31 108.859 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.429 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 62.0 mtt -61.78 -44.76 96.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.634 -1.166 . . . . 1.7 108.786 176.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.0 -38.81 87.36 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.316 -0.856 . . . . 1.92 111.114 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.598 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 91.8 m -63.83 -54.56 33.16 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.744 -0.662 . . . . 0.43 110.708 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.45 78.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.65 0.262 . . . . 0.29 110.863 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.435 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.57 -38.69 85.4 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.642 0.608 . . . . 0.38 112.642 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.9 ptp180 -71.17 -24.02 62.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.598 0.713 . . . . 2.54 109.953 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -83.93 -26.51 29.26 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.529 -0.759 . . . . 0.4 111.346 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.435 ' HG3' ' HA ' ' A' ' 50' ' ' ALA . 47.4 mt-10 -53.9 -62.25 1.78 Allowed 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 123.467 0.479 . . . . 0.64 111.208 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.9 m -74.43 -23.41 58.92 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.878 -0.601 . . . . 1.33 111.46 -174.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -69.91 -36.85 75.69 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.876 -0.602 . . . . 3.79 110.333 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.655 ' HB3' HD21 ' A' ' 82' ' ' LEU . 92.4 m-85 -108.21 4.01 24.28 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.995 0.739 . . . . 1.17 112.995 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.81 22.79 71.17 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 116.258 -0.428 . . . . 0.91 113.607 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.1 m -115.46 176.52 2.27 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 C-N-CA 122.391 0.276 . . . . 1.17 110.943 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -143.59 133.31 23.78 Favored 'General case' 0 N--CA 1.426 -1.632 0 N-CA-C 109.232 -0.655 . . . . 1.6 109.232 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.659 HD12 HD13 ' A' ' 78' ' ' ILE . 59.5 mt -134.13 121.42 15.6 Favored Pre-proline 0 C--N 1.316 -0.887 0 CA-C-N 115.879 -0.601 . . . . 0.95 109.552 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 52.3 Cg_exo -58.1 153.04 47.93 Favored 'Trans proline' 0 CA--C 1.547 1.136 0 C-N-CA 123.467 2.778 . . . . 0.69 113.604 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.85 -47.9 79.3 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.314 1.045 . . . . 2.19 112.947 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 15.5 m-20 -67.02 -17.25 64.83 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 111.927 0.343 . . . . 2.48 111.927 -175.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.412 HG12 HD13 ' A' ' 77' ' ' LEU . 61.4 t -78.97 -52.32 15.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 108.401 -0.963 . . . . 0.56 108.401 178.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 46' ' ' MET . . . -61.0 -30.78 70.49 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.364 -0.835 . . . . 0.51 111.859 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.49 5.65 82.49 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.261 -0.971 . . . . 0.97 112.892 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 37.2 ttt180 -98.29 0.63 45.97 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.443 0.64 . . . . 3.52 110.506 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.539 HG21 HD23 ' A' ' 74' ' ' LEU . 31.2 m -94.38 120.67 44.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-O 121.692 0.758 . . . . 0.5 112.331 -177.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -77.94 -41.42 36.4 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.009 -0.996 . . . . 1.88 110.38 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -119.95 146.38 41.93 Favored Pre-proline 0 N--CA 1.435 -1.187 0 CA-C-N 115.991 -0.549 . . . . 0.43 111.352 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -59.73 -21.74 64.62 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.983 3.122 . . . . 0.34 113.879 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.597 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 40.5 ttm180 -61.75 -32.67 72.94 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.55 -0.537 . . . . 2.05 109.55 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 59.2 mm-40 -82.06 -33.24 30.0 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.78 -0.646 . . . . 2.23 110.894 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.545 HD12 HD11 ' A' ' 10' ' ' LEU . 2.9 tm? -65.46 -39.44 92.0 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 108.33 -0.989 . . . . 1.17 108.33 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.623 ' HB2' HD22 ' A' ' 10' ' ' LEU . 48.7 tp -59.38 -48.59 81.07 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 115.234 -0.894 . . . . 0.6 108.735 175.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.26 -32.72 74.19 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 114.164 -1.38 . . . . 0.89 112.602 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 81.8 mt -58.61 -47.39 84.5 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 120.952 0.406 . . . . 1.06 110.452 177.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.659 HD13 HD12 ' A' ' 60' ' ' ILE . 41.2 mm -70.73 -50.87 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 108.935 -0.765 . . . . 0.62 108.935 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.411 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 12.3 m120 -52.41 -46.23 66.22 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.475 0.484 . . . . 1.45 111.261 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.5 -47.35 91.17 Favored Glycine 0 N--CA 1.439 -1.142 0 O-C-N 123.604 0.565 . . . . 0.48 112.338 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.4 94.59 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.44 0.638 . . . . 0.56 110.536 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 56' ' ' TYR . 93.0 mt -68.4 -37.1 80.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.305 -0.862 . . . . 0.72 110.47 178.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 121.231 0.539 . . . . 0.93 110.409 177.589 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.438 -1.048 0 CA-C-O 121.328 0.585 . . . . 1.7 109.541 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.83 140.45 49.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.309 -0.626 . . . . 1.02 109.309 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -83.99 157.26 21.92 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 116.388 -0.369 . . . . 1.37 111.172 176.303 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.7 p -94.05 -170.84 2.4 Favored 'General case' 0 N--CA 1.428 -1.574 0 O-C-N 123.549 0.531 . . . . 0.88 111.45 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -73.99 -43.61 57.45 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 108.477 -0.934 . . . . 0.7 108.477 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 31.8 t70 -62.04 -33.62 74.72 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.92 -0.582 . . . . 2.29 110.792 178.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 33.3 t70 -72.22 -42.76 65.36 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.428 -0.509 . . . . 1.83 110.216 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 75' ' ' LEU . 51.1 tp -56.96 -46.32 82.24 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.945 -0.761 . . . . 0.75 108.945 174.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 61.8 ttt180 -52.96 -51.73 60.48 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.622 -1.172 . . . . 2.88 110.984 176.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 66.9 mtp180 -57.0 -43.96 82.29 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.419 0.628 . . . . 3.46 111.413 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 52' ' ' LEU . . . -71.63 -25.8 62.3 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.443 -0.799 . . . . 0.63 111.442 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.551 ' HG ' ' OH ' ' A' ' 40' ' ' TYR . 15.1 tp -81.71 -48.64 11.42 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.508 -0.553 . . . . 0.62 109.508 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' ARG . 70.8 t -60.68 -17.77 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.525 0.73 . . . . 0.74 112.347 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.79 -28.14 67.35 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.866 -0.522 . . . . 2.04 109.785 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.442 -0.854 0 N-CA-C 112.1 0.408 . . . . 1.3 112.1 175.763 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.45 ' HB2' HD12 ' A' ' 33' ' ' LEU . 51.7 p90 . . . . . 0 N--CA 1.464 0.245 0 N-CA-C 112.893 0.701 . . . . 0.73 112.893 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.632 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 5.8 mp -67.81 -12.96 61.69 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 113.755 1.02 . . . . 1.26 113.755 -176.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -101.92 -1.31 32.28 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 111.527 0.195 . . . . 2.24 111.527 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.49 ' O ' ' HD3' ' A' ' 71' ' ' PRO . 94.5 mt -77.0 115.76 17.07 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 109.377 -0.601 . . . . 1.73 109.377 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -66.48 145.21 55.9 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 120.971 0.415 . . . . 3.1 110.661 -178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.682 ' HB3' ' HB2' ' A' ' 40' ' ' TYR . 48.2 m-85 -63.74 -24.22 67.68 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.655 -0.702 . . . . 0.43 111.438 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.54 -44.6 96.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.127 -0.488 . . . . 2.48 110.255 174.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.22 -42.67 71.99 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 116.037 -0.529 . . . . 2.01 110.053 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.489 HG13 ' HD1' ' A' ' 40' ' ' TYR . 30.9 pt -86.85 14.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 113.555 0.946 . . . . 0.65 113.555 -176.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.13 50.35 63.94 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 115.14 0.816 . . . . 0.55 115.14 173.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.682 ' HB2' ' HB3' ' A' ' 35' ' ' PHE . 13.4 m-85 -106.36 157.53 17.54 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 113.096 0.776 . . . . 1.1 113.096 178.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.472 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 9.9 t0 -115.65 159.68 21.02 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 105.754 -1.943 . . . . 1.89 105.754 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.523 ' O ' ' HG3' ' A' ' 46' ' ' MET . 19.4 m -67.68 -39.9 84.44 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 108.905 -0.776 . . . . 0.88 108.905 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.42 -31.63 71.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.005 -0.543 . . . . 1.7 109.638 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.08 -35.0 76.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.46 109.64 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.672 ' HB2' ' HA2' ' A' ' 66' ' ' GLY . 93.6 mt -71.65 -38.68 70.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.991 -0.549 . . . . 0.31 110.057 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 63.7 mtt -62.98 -43.24 99.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.396 -0.82 . . . . 1.7 109.239 176.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.9 -43.7 91.08 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.771 -0.649 . . . . 1.92 109.523 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.5 m -57.71 -51.89 67.69 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.313 -0.858 . . . . 0.43 110.748 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -65.23 -41.22 94.6 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.754 -0.203 . . . . 0.29 111.451 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -57.23 -41.4 79.46 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.599 0.592 . . . . 0.38 112.599 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -72.34 -23.88 61.21 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.966 -0.459 . . . . 2.54 111.886 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 13' ' ' ALA . 94.2 mt -82.86 -39.65 21.32 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 116.061 -0.518 . . . . 0.4 110.75 178.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.434 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 49.3 mt-10 -51.71 -49.76 61.83 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 122.796 0.439 . . . . 0.64 110.2 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.8 t -57.39 -43.64 83.85 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.536 -1.211 . . . . 1.33 112.239 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -77.17 -37.83 52.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.304 0.573 . . . . 3.79 111.305 -175.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.593 ' HB3' HD21 ' A' ' 82' ' ' LEU . 99.6 m-85 -95.1 -9.13 34.52 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 113.934 1.087 . . . . 1.17 113.934 -173.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.73 38.75 23.07 Favored Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 121.166 -0.54 . . . . 0.91 112.783 175.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 34.3 m -115.87 175.63 2.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-O 120.845 0.355 . . . . 1.17 111.41 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -139.95 112.68 7.99 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 108.983 -0.747 . . . . 1.6 108.983 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.9 mt -127.44 122.86 22.95 Favored Pre-proline 0 C--N 1.307 -1.24 0 N-CA-C 108.506 -0.924 . . . . 0.95 108.506 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.417 ' HB2' HG23 ' A' ' 64' ' ' VAL . 36.4 Cg_exo -58.53 132.76 50.24 Favored 'Trans proline' 0 C--O 1.251 1.127 0 C-N-CA 122.715 2.277 . . . . 0.69 112.717 -179.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' A' ' 46' ' ' MET . 9.5 m-20 -49.8 -50.5 44.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.532 1.133 . . . . 2.19 110.933 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.39 -30.71 63.07 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.745 0.818 . . . . 2.48 111.759 -175.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 61' ' ' PRO . 86.3 t -79.77 -51.68 15.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 C-N-CA 123.764 0.826 . . . . 0.56 109.592 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -54.16 -36.4 63.32 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 123.933 0.893 . . . . 0.51 112.382 -177.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.672 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -85.84 -8.83 78.94 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.218 -0.991 . . . . 0.97 113.463 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -100.13 14.54 30.41 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.949 0.88 . . . . 3.52 110.941 -174.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 65' ' ' ALA . 18.1 m -81.43 161.17 3.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.155 -0.683 . . . . 0.5 109.155 173.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -117.25 -36.5 3.75 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.318 0.58 . . . . 1.88 111.341 -175.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 28.5 p -122.37 147.05 48.82 Favored Pre-proline 0 C--N 1.302 -1.487 0 CA-C-N 115.79 -0.641 . . . . 0.43 110.467 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 74.6 Cg_exo -53.89 -29.27 52.7 Favored 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 124.164 3.242 . . . . 0.34 113.844 -176.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.632 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 5.5 ptp180 -60.05 -35.24 74.71 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 120.694 0.283 . . . . 2.05 111.13 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.569 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 36.0 mt-10 -72.69 -36.32 67.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.091 -0.504 . . . . 2.23 110.818 -176.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.43 HD22 HD12 ' A' ' 77' ' ' LEU . 2.4 tm? -73.27 -39.0 65.74 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.077 -1.083 . . . . 1.17 108.077 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.681 ' HB2' HD22 ' A' ' 10' ' ' LEU . 46.3 tp -60.76 -47.05 88.05 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.554 -0.906 . . . . 0.6 108.554 175.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.01 -34.91 77.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.315 -1.312 . . . . 0.89 112.232 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 69.5 mt -60.12 -38.31 82.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.998 0.428 . . . . 1.06 110.553 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.2 mm -77.46 -56.92 6.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.945 -0.761 . . . . 0.62 108.945 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.422 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 14.0 m120 -51.86 -48.91 63.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.376 0.671 . . . . 1.45 111.886 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.88 -41.21 99.62 Favored Glycine 0 CA--C 1.506 -0.498 0 O-C-N 123.443 0.464 . . . . 0.48 112.828 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.44 -47.63 81.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.23 0.538 . . . . 0.56 110.039 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.593 HD21 ' HB3' ' A' ' 56' ' ' TYR . 90.7 mt -66.7 -34.93 78.94 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.39 -0.823 . . . . 0.72 111.739 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 121.408 0.623 . . . . 0.93 110.775 178.863 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.425 -1.716 0 N-CA-C 108.403 -0.962 . . . . 1.7 108.403 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' A' ' 79' ' ' ASN . 72.1 mt -73.07 125.13 26.95 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 120.967 0.413 . . . . 1.02 110.403 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.599 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 3.3 pp -79.27 149.03 31.94 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 116.144 -0.48 . . . . 1.37 109.745 174.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.4 p -96.15 -170.62 2.14 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 116.263 -0.426 . . . . 0.88 110.395 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -65.46 -44.63 86.61 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.414 -0.587 . . . . 0.7 109.414 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.75 -41.05 99.03 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.858 -0.61 . . . . 2.29 111.247 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.599 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 55.4 m-20 -63.55 -42.78 98.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 110.066 -0.346 . . . . 1.83 110.066 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 75' ' ' LEU . 48.5 tp -60.46 -44.52 95.78 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 123.71 0.631 . . . . 0.75 110.948 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.5 ttm105 -55.45 -52.82 62.37 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.214 0.53 . . . . 2.88 110.316 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -63.78 -39.89 95.35 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.227 -0.897 . . . . 3.46 110.712 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.04 -31.51 71.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.639 -0.71 . . . . 0.63 111.481 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.8 tp -78.78 -52.51 8.26 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 122.215 -0.303 . . . . 0.62 110.813 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.9 t -61.17 -23.23 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 116.063 -0.517 . . . . 0.74 111.649 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -60.24 -28.08 67.74 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 122.981 0.512 . . . . 2.04 111.201 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 51' ' ' ARG . 44.6 t . . . . . 0 C--N 1.321 -0.673 0 CA-C-O 121.218 0.532 . . . . 1.3 110.447 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.4 p90 . . . . . 0 C--O 1.198 -1.629 0 N-CA-C 112.174 0.435 . . . . 0.73 112.174 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.605 ' O ' ' HB ' ' A' ' 70' ' ' THR . 2.8 mm? -77.97 -24.39 48.09 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 120.618 -0.433 . . . . 1.26 109.961 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -101.03 -12.29 18.98 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-O 121.765 0.793 . . . . 2.24 109.785 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.8 tp -80.45 115.58 20.06 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 106.901 -1.518 . . . . 1.73 106.901 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.445 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 58.0 mtm180 -83.74 163.24 20.33 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.297 0.57 . . . . 3.1 110.826 -171.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' HA ' HG12 ' A' ' 38' ' ' ILE . 73.6 m-85 -70.18 -32.22 70.05 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.169 -0.923 . . . . 0.43 110.639 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -37.53 81.38 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.29 -1.004 . . . . 2.48 108.29 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.445 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 38.0 m-20 -71.96 -30.43 65.29 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.692 -0.686 . . . . 2.01 110.536 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.514 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -104.6 20.84 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 113.552 0.945 . . . . 0.65 113.552 -176.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.31 31.67 81.52 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 114.307 0.483 . . . . 0.55 114.307 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -102.55 122.91 45.31 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 122.452 -0.44 . . . . 1.1 111.014 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.96 157.17 25.64 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.764 -0.653 . . . . 1.89 111.127 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 m -60.89 -34.33 74.49 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 123.651 0.78 . . . . 0.88 110.502 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.93 -34.53 78.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.837 -0.619 . . . . 1.7 110.479 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.85 -29.98 67.35 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.836 -0.62 . . . . 0.46 109.663 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -72.03 -43.43 65.0 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.039 -0.528 . . . . 0.31 110.105 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.612 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 65.2 mtt -61.68 -45.0 95.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.684 -0.689 . . . . 1.7 109.713 177.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.18 -43.19 96.04 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.334 -0.848 . . . . 1.92 109.306 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.494 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 40.7 m -61.09 -51.86 67.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 0.43 111.124 177.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.23 -32.14 72.78 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 121.122 -0.231 . . . . 0.29 111.143 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.69 94.26 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.213 0.53 . . . . 0.38 110.292 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 17' ' ' SER . 30.9 ttp-105 -60.89 -33.62 73.39 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.554 0.742 . . . . 2.54 110.254 176.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 48' ' ' THR . 86.6 mt -75.88 -38.02 58.27 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.488 -0.778 . . . . 0.4 111.122 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 48.3 mt-10 -56.11 -55.81 28.42 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.613 0.72 . . . . 0.64 110.338 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.7 p -66.11 -45.79 79.86 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 114.395 -1.275 . . . . 1.33 112.753 -174.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.83 -39.18 64.23 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 112.923 0.712 . . . . 3.79 112.923 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -96.17 -2.19 46.84 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.663 0.616 . . . . 1.17 112.663 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.74 63.71 3.23 Favored Glycine 0 C--N 1.317 -0.52 0 C-N-CA 121.225 -0.512 . . . . 0.91 112.452 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.8 p -153.09 175.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.435 -1.32 . . . . 1.17 107.435 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -140.94 136.14 31.92 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 108.267 -1.012 . . . . 1.6 108.267 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.401 ' CD1' HD13 ' A' ' 78' ' ' ILE . 72.3 mt -136.55 130.88 18.14 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 108.734 -0.839 . . . . 0.95 108.734 -177.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.477 ' HB2' HG23 ' A' ' 64' ' ' VAL . 68.6 Cg_exo -53.77 125.5 18.84 Favored 'Trans proline' 0 C--O 1.246 0.907 0 C-N-CA 122.77 2.313 . . . . 0.69 111.768 177.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.612 ' O ' ' HG2' ' A' ' 46' ' ' MET . 5.0 p-10 -63.53 -35.95 82.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.19 -0.914 . . . . 2.19 112.604 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.05 -25.37 65.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.72 0.771 . . . . 2.48 110.628 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 61' ' ' PRO . 94.2 t -72.61 -44.45 60.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 CA-C-N 114.751 -1.113 . . . . 0.56 109.031 177.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.407 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -57.88 -41.33 82.31 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 115.541 -0.754 . . . . 0.51 109.196 176.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.45 53.98 4.62 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.04 -0.824 . . . . 0.97 111.04 175.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -153.28 -36.8 0.1 Allowed 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 123.382 0.673 . . . . 3.52 109.707 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 73' ' ' GLU . 34.8 m -58.54 111.5 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-O 121.642 0.734 . . . . 0.5 111.79 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -73.32 -43.24 61.2 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-O 121.437 0.636 . . . . 1.88 110.174 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.605 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 36.5 p -109.57 145.63 32.34 Favored Pre-proline 0 N--CA 1.418 -2.057 0 CA-C-N 115.098 -0.955 . . . . 0.43 110.871 -177.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.82 -17.54 55.79 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.623 2.882 . . . . 0.34 112.447 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.511 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 20.3 ttm180 -62.87 -37.01 85.17 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.951 -1.129 . . . . 2.05 107.951 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.538 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 33.7 mt-10 -72.46 -36.56 68.52 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.876 -1.056 . . . . 2.23 110.324 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.89 -41.72 77.89 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.198 -1.038 . . . . 1.17 108.198 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.466 ' HB2' HD22 ' A' ' 10' ' ' LEU . 49.1 tp -60.26 -44.91 94.89 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.932 -0.766 . . . . 0.6 108.932 176.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.11 -39.78 83.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.596 -1.183 . . . . 0.89 111.587 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 81.5 mt -57.58 -51.35 69.84 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 109.912 -0.403 . . . . 1.06 109.912 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.565 HG21 ' HG ' ' A' ' 5' ' ' LEU . 42.6 mm -61.76 -59.41 4.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.859 -0.61 . . . . 0.62 110.807 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.56 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.6 m120 -56.5 -44.01 80.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.696 0.284 . . . . 1.45 111.234 -176.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.92 80.68 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 116.165 -0.47 . . . . 0.48 112.735 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.24 -36.67 79.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.809 0.304 . . . . 0.56 111.302 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.9 -19.56 65.18 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 112.247 0.462 . . . . 0.72 112.247 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.847 0 CA-C-O 121.067 0.461 . . . . 0.93 110.191 177.139 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.429 -1.491 0 N-CA-C 106.554 -1.647 . . . . 1.7 106.554 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 79' ' ' ASN . 77.9 mt -93.36 132.44 37.58 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.775 -0.578 . . . . 1.02 111.028 -175.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 2.5 pt? -70.79 151.51 44.75 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-N 115.443 -0.799 . . . . 1.37 109.109 175.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.4 p -91.08 -170.69 2.74 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 116.442 -0.345 . . . . 0.88 110.156 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.2 m -67.06 -42.37 84.88 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 109.332 -0.618 . . . . 0.7 109.332 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.9 m-20 -67.32 -29.1 68.58 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.814 -0.63 . . . . 2.29 112.332 -177.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 21.3 m-20 -65.68 -41.58 92.27 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 120.785 -0.366 . . . . 1.83 110.293 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.747 HD22 ' HB2' ' A' ' 75' ' ' LEU . 52.6 tp -67.84 -44.55 76.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.87 -0.789 . . . . 0.75 108.87 176.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 73.9 ttt180 -49.68 -56.41 10.24 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.955 1.302 . . . . 2.88 111.698 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 41.0 mtt180 -60.6 -45.83 92.52 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.666 -0.494 . . . . 3.46 109.666 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.12 93.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.886 . . . . 0.63 112.986 -175.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.3 tp -71.11 -47.62 57.02 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 116.246 -0.434 . . . . 0.62 110.708 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.28 -31.72 55.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.452 0.644 . . . . 0.74 109.982 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -64.07 -25.52 68.14 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.353 -0.839 . . . . 2.04 110.244 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 116.149 -0.478 . . . . 1.3 111.996 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 p90 . . . . . 0 C--O 1.211 -0.935 0 CA-C-O 120.965 0.412 . . . . 0.73 110.763 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.734 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.4 mm? -77.28 -22.11 52.58 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.136 -0.484 . . . . 1.26 110.55 -175.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.76 -22.47 29.61 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.627 0.579 . . . . 2.24 109.839 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.41 145.25 45.97 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 115.195 -0.911 . . . . 1.73 109.227 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -89.36 146.51 24.64 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 120.116 -0.634 . . . . 3.1 110.194 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 43.6 m-85 -62.42 -30.57 71.32 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.961 0.41 . . . . 0.43 110.627 177.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.34 -37.97 87.67 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.26 -0.882 . . . . 2.48 109.191 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -74.62 -24.15 58.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.386 -0.825 . . . . 2.01 111.355 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.413 HG12 ' HA ' ' A' ' 35' ' ' PHE . 33.5 pt -103.46 18.05 4.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.104 0.478 . . . . 0.65 111.891 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.75 22.54 70.13 Favored Glycine 0 CA--C 1.525 0.675 0 CA-C-N 115.785 -0.643 . . . . 0.55 114.658 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -89.72 145.31 25.3 Favored 'General case' 0 N--CA 1.428 -1.565 0 O-C-N 122.275 -0.544 . . . . 1.1 111.521 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.523 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.7 p30 -112.58 162.62 15.46 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.738 -1.119 . . . . 1.89 110.268 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -55.81 -37.44 68.65 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 125.263 1.425 . . . . 0.88 112.295 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.03 -46.51 84.13 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.166 -0.47 . . . . 1.7 109.812 -176.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.11 -30.7 71.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.175 -0.92 . . . . 0.46 111.257 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 58.8 mt -74.06 -43.24 58.51 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.22 -0.445 . . . . 0.31 110.203 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 68.2 mtm -66.42 -39.03 88.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.9 -0.591 . . . . 1.7 109.655 178.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -57.59 -35.26 70.18 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.386 1.074 . . . . 1.92 109.257 176.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.586 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 85.2 m -72.6 -58.74 3.13 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.041 -0.981 . . . . 0.43 110.715 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.88 -43.79 66.39 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 111.978 0.362 . . . . 0.29 111.978 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.6 66.63 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.289 0.848 . . . . 0.38 113.289 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.586 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.6 ptp180 -84.53 -23.43 29.77 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.675 0.75 . . . . 2.54 109.944 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.402 HD13 HG13 ' A' ' 78' ' ' ILE . 97.1 mt -77.54 -33.43 54.16 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.663 -0.698 . . . . 0.4 109.869 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -55.75 -53.4 57.05 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.189 -0.914 . . . . 0.64 111.792 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.4 p -67.33 -27.85 67.48 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.628 -0.715 . . . . 1.33 111.938 -176.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -82.44 -45.51 14.68 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 120.509 -0.476 . . . . 3.79 111.746 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -97.63 4.93 50.03 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 114.592 1.33 . . . . 1.17 114.592 -174.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.18 58.35 8.17 Favored Glycine 0 C--N 1.315 -0.629 0 C-N-CA 120.693 -0.765 . . . . 0.91 112.6 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.97 147.46 21.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 N-CA-C 108.486 -0.931 . . . . 1.17 108.486 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 t -118.59 113.29 21.02 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.891 -0.781 . . . . 1.6 108.891 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.515 HD12 HD13 ' A' ' 78' ' ' ILE . 72.8 mt -130.33 130.21 22.98 Favored Pre-proline 0 C--N 1.303 -1.422 0 N-CA-C 108.337 -0.986 . . . . 0.95 108.337 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -57.31 120.34 8.19 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.959 1.772 . . . . 0.69 110.039 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 46' ' ' MET . 7.8 p-10 -61.4 -23.92 66.14 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 112.179 0.437 . . . . 2.19 112.179 -175.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -57.95 -29.3 65.07 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 120.921 0.391 . . . . 2.48 111.754 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.7 t -68.89 -28.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.274 0.559 . . . . 0.56 110.313 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.92 -9.85 58.97 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-N 115.957 -0.565 . . . . 0.51 110.346 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.41 18.55 57.28 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.698 -0.961 . . . . 0.97 110.698 176.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -131.6 2.22 4.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.383 0.611 . . . . 3.52 109.4 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 m -85.54 126.64 40.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.463 0.649 . . . . 0.5 110.08 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -92.01 -39.38 11.69 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.27 -0.877 . . . . 1.88 110.656 -172.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 36.7 p -119.42 153.06 53.62 Favored Pre-proline 0 C--N 1.309 -1.177 0 CA-C-N 115.459 -0.792 . . . . 0.43 109.575 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.441 ' HG3' ' CE1' ' A' ' 35' ' ' PHE . 46.7 Cg_exo -59.56 -23.33 70.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 123.092 2.528 . . . . 0.34 112.323 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.734 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 42.7 ttm180 -60.63 -41.34 94.68 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 109.777 -0.453 . . . . 2.05 109.777 178.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 45.2 mt-10 -69.26 -38.69 78.53 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 123.341 0.401 . . . . 2.23 110.886 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.7 -42.24 95.44 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.232 -1.025 . . . . 1.17 108.232 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.747 ' HB2' HD22 ' A' ' 10' ' ' LEU . 46.0 tp -66.76 -43.03 85.18 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.455 -0.793 . . . . 0.6 109.579 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.25 -34.33 77.44 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 114.772 -1.104 . . . . 0.89 111.303 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 66.8 mt -57.48 -51.23 70.31 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.937 0.399 . . . . 1.06 110.01 175.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.515 HD13 HD12 ' A' ' 60' ' ' ILE . 31.3 mm -67.71 -57.07 10.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.47 -0.786 . . . . 0.62 109.139 -178.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.486 ' ND2' ' HG ' ' A' ' 75' ' ' LEU . 89.1 m-20 -51.5 -49.24 62.25 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 123.433 0.458 . . . . 1.45 111.768 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.26 -47.35 88.68 Favored Glycine 0 CA--C 1.499 -0.945 0 CA-C-N 115.942 -0.572 . . . . 0.48 113.072 -176.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.19 85.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.965 0.412 . . . . 0.56 110.953 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.69 -47.66 65.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.946 -0.57 . . . . 0.72 110.791 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.533 0 CA-C-O 121.326 0.584 . . . . 0.93 111.091 -179.253 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.425 -1.691 0 N-CA-C 109.421 -0.585 . . . . 1.7 109.421 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.8 mt -60.13 120.68 10.2 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 108.746 -0.835 . . . . 1.02 108.746 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 4.5 pp -82.2 153.34 26.0 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 116.057 -0.52 . . . . 1.37 110.314 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.8 p -113.42 -168.62 1.36 Allowed 'General case' 0 N--CA 1.426 -1.634 0 N-CA-C 112.176 0.436 . . . . 0.88 112.176 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.5 m -48.96 -54.87 13.74 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 125.289 1.436 . . . . 0.7 112.452 -177.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.475 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 19.6 m-20 -70.44 -27.64 64.41 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.708 0.633 . . . . 2.29 112.708 -175.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 15.9 m-20 -63.85 -50.15 69.99 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 108.934 -0.765 . . . . 1.83 108.934 175.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.69 -46.09 91.17 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 114.956 -1.02 . . . . 0.75 109.044 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 15' ' ' VAL . 69.0 ttt180 -45.97 -60.61 2.16 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.203 1.401 . . . . 2.88 112.126 177.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 99.3 mtt180 -59.46 -45.75 90.74 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.275 -0.421 . . . . 3.46 111.483 -176.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 16' ' ' GLU . . . -67.69 -35.95 79.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.591 -0.731 . . . . 0.63 111.15 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.514 HD13 HG21 ' A' ' 48' ' ' THR . 60.0 tp -74.66 -27.96 60.64 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 115.801 -0.636 . . . . 0.62 111.28 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 11' ' ' ARG . 85.5 t -68.95 -36.33 73.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.534 -0.913 . . . . 0.74 108.534 173.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 55.1 mt-10 -60.65 -43.99 96.93 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.027 -0.988 . . . . 2.04 112.339 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.5 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 17.7 m . . . . . 0 C--O 1.247 0.935 0 C-N-CA 123.042 0.537 . . . . 1.3 111.748 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.791 ' HA ' HD13 ' A' ' 33' ' ' LEU . 48.8 p90 . . . . . 0 N--CA 1.441 -0.911 0 N-CA-C 109.951 -0.389 . . . . 0.73 109.951 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.635 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 3.2 mm? -69.88 -18.51 63.41 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 112.936 0.717 . . . . 1.26 112.936 -172.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.437 ' HB2' HH22 ' A' ' 72' ' ' ARG . 18.5 t70 -97.84 -10.25 25.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.296 0.569 . . . . 2.24 110.665 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.791 HD13 ' HA ' ' A' ' 30' ' ' PHE . 8.0 mp -77.93 108.55 11.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.333 -0.394 . . . . 1.73 110.621 -177.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -57.04 141.62 45.07 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 115.781 -0.645 . . . . 3.1 111.917 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.506 ' HA ' HG12 ' A' ' 38' ' ' ILE . 59.5 m-85 -62.74 -34.71 77.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.476 -0.784 . . . . 0.43 111.661 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.59 -38.23 74.52 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.267 0.556 . . . . 2.48 110.389 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -75.24 -37.81 60.86 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.462 -0.79 . . . . 2.01 111.09 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.506 HG12 ' HA ' ' A' ' 35' ' ' PHE . 37.1 pt -88.66 21.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 112.624 0.601 . . . . 0.65 112.624 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.49 32.99 85.14 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 115.848 -0.614 . . . . 0.55 114.42 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.5 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 1.1 m-85 -102.01 146.12 28.34 Favored 'General case' 0 N--CA 1.416 -2.173 0 N-CA-C 113.67 0.989 . . . . 1.1 113.67 -178.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.556 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 23.0 m-20 -107.58 160.37 15.73 Favored 'General case' 0 CA--C 1.482 -1.639 0 CA-C-N 114.332 -1.304 . . . . 1.89 109.344 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 m -66.74 -37.2 84.19 Favored 'General case' 0 C--N 1.289 -2.037 0 CA-C-N 115.692 -0.686 . . . . 0.88 111.274 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.434 HD13 ' SD ' ' A' ' 46' ' ' MET . 3.9 mm? -68.25 -28.71 67.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.657 0.741 . . . . 1.7 109.707 176.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.54 -25.19 49.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.268 -0.878 . . . . 0.46 109.699 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 84.7 mt -73.9 -36.26 64.75 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 116.049 -0.523 . . . . 0.31 110.021 176.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.434 ' SD ' HD13 ' A' ' 43' ' ' LEU . 57.8 mtt -64.45 -41.13 96.72 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.615 -0.883 . . . . 1.7 108.615 175.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -60.06 -32.1 70.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.23 1.012 . . . . 1.92 110.408 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.541 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 85.2 m -78.48 -45.54 21.84 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.608 -0.724 . . . . 0.43 110.665 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -64.62 -46.61 81.89 Favored 'General case' 0 C--N 1.312 -1.022 0 O-C-N 122.261 -0.274 . . . . 0.29 111.026 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.69 -37.01 70.29 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.488 0.921 . . . . 0.38 113.488 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.541 ' HD2' ' HA ' ' A' ' 48' ' ' THR . 3.6 ptm85 -67.87 -30.26 69.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.529 0.681 . . . . 2.54 109.974 -178.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.427 HD22 HD22 ' A' ' 5' ' ' LEU . 72.9 mt -83.79 -36.03 23.85 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.444 -0.798 . . . . 0.4 109.266 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 43.6 mt-10 -57.48 -54.34 47.97 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.363 -0.835 . . . . 0.64 109.914 176.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.6 t -61.66 -22.82 65.63 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.863 -1.062 . . . . 1.33 111.139 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -85.61 -54.37 4.59 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 120.796 -0.362 . . . . 3.79 111.678 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.454 ' CE2' HD23 ' A' ' 5' ' ' LEU . 92.1 m-85 -101.05 -12.86 18.52 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 115.003 1.483 . . . . 1.17 115.003 -171.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.87 35.7 8.94 Favored Glycine 0 C--N 1.315 -0.618 0 C-N-CA 119.998 -1.096 . . . . 0.91 113.068 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.516 ' HB ' HD21 ' A' ' 82' ' ' LEU . 3.7 p -102.29 134.42 43.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 107.665 -1.235 . . . . 1.17 107.665 176.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.7 p -102.17 109.91 21.74 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 118.539 0.609 . . . . 1.6 111.17 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.9 mt -118.52 108.26 41.76 Favored Pre-proline 0 C--N 1.305 -1.328 0 N-CA-C 110.002 -0.37 . . . . 0.95 110.002 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.478 ' HD2' HG21 ' A' ' 64' ' ' VAL . 50.9 Cg_exo -57.58 154.01 38.94 Favored 'Trans proline' 0 C--O 1.253 1.246 0 C-N-CA 122.578 2.186 . . . . 0.69 111.479 176.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -59.69 -42.11 92.22 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.552 -0.749 . . . . 2.19 110.563 -175.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -55.29 -45.7 76.22 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 115.753 -0.658 . . . . 2.48 110.89 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.478 HG21 ' HD2' ' A' ' 61' ' ' PRO . 53.6 t -59.91 -58.86 5.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.222 -0.899 . . . . 0.56 109.91 -178.13 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -59.08 -33.77 71.2 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.442 -0.799 . . . . 0.51 112.069 -177.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.89 -7.09 88.96 Favored Glycine 0 C--N 1.316 -0.53 0 C-N-CA 120.6 -0.809 . . . . 0.97 113.663 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -106.14 -0.25 24.83 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 113.642 0.979 . . . . 3.52 113.642 -177.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 65' ' ' ALA . 27.8 m -79.33 131.92 33.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 C-N-CA 120.082 -0.647 . . . . 0.5 110.601 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -95.69 -39.6 9.8 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.459 0.647 . . . . 1.88 110.542 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 34.6 p -116.46 146.59 37.8 Favored Pre-proline 0 C--N 1.297 -1.683 0 CA-C-N 115.62 -0.718 . . . . 0.43 110.686 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.635 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 51.4 Cg_exo -58.21 -24.84 69.12 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.529 2.819 . . . . 0.34 112.562 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.437 HH22 ' HB2' ' A' ' 32' ' ' ASP . 44.4 ttm180 -56.8 -39.08 73.49 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.538 0.735 . . . . 2.05 109.778 176.401 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.622 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 38.3 mt-10 -70.81 -43.89 67.68 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.296 -0.865 . . . . 2.23 110.551 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.37 -43.97 92.84 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.426 -0.953 . . . . 1.17 108.426 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.25 -39.51 94.8 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.705 -0.68 . . . . 0.6 109.905 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.59 -38.42 90.95 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.424 -0.807 . . . . 0.89 110.823 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 97.6 mt -57.74 -46.08 84.97 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.192 0.597 . . . . 1.06 109.994 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.434 HG21 ' HG ' ' A' ' 5' ' ' LEU . 49.8 mm -65.45 -62.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 114.972 -1.013 . . . . 0.62 109.445 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -52.82 -47.04 67.94 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.655 -0.702 . . . . 1.45 112.161 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.62 -47.07 92.04 Favored Glycine 0 N--CA 1.446 -0.65 0 O-C-N 123.442 0.464 . . . . 0.48 113.452 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB3' HG23 ' A' ' 58' ' ' VAL . . . -72.03 -36.81 69.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.046 0.45 . . . . 0.56 111.597 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.516 HD21 ' HB ' ' A' ' 58' ' ' VAL . 84.4 mt -74.75 -17.58 60.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.406 -0.361 . . . . 0.72 111.043 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 121.454 0.645 . . . . 0.93 109.655 175.983 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 109.543 -0.539 . . . . 1.7 109.543 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 79' ' ' ASN . 22.9 mt -63.42 119.81 10.44 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.038 -1.097 . . . . 1.02 108.038 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.531 ' HG ' ' OD1' ' A' ' 79' ' ' ASN . 4.4 pp -62.9 140.23 58.8 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 123.629 0.581 . . . . 1.37 110.56 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -85.1 -174.91 5.51 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 116.132 -0.486 . . . . 0.88 110.683 -177.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -68.03 -32.26 72.5 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 108.835 -0.802 . . . . 0.7 108.835 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.95 -42.84 76.12 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.564 -0.744 . . . . 2.29 110.181 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.472 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 30.2 m-20 -63.98 -43.65 95.09 Favored 'General case' 0 CA--C 1.495 -1.16 0 CA-C-N 115.82 -0.627 . . . . 1.83 110.448 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.715 HD22 ' HB2' ' A' ' 75' ' ' LEU . 59.2 tp -62.35 -46.64 87.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.573 -0.74 . . . . 0.75 109.523 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.0 ttp180 -53.95 -56.95 13.11 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.445 -0.798 . . . . 2.88 111.669 179.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -58.93 -34.45 71.75 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.71 0.633 . . . . 3.46 112.71 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HB1' ' HD2' ' A' ' 51' ' ' ARG . . . -76.24 -34.46 59.2 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.18 0.514 . . . . 0.63 111.623 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.0 tp -79.73 -32.87 41.18 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 120.958 0.409 . . . . 0.62 109.989 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 11' ' ' ARG . 88.9 t -67.91 -29.86 46.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 109.249 -0.649 . . . . 0.74 109.249 174.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -57.32 -53.22 60.57 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.44 0.696 . . . . 2.04 110.431 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.589 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 5.1 m . . . . . 0 CA--C 1.544 0.722 0 CA-C-O 120.973 0.416 . . . . 1.3 110.262 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.8 p90 . . . . . 0 C--O 1.214 -0.807 0 N-CA-C 112.414 0.524 . . . . 0.73 112.414 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.723 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.9 mm? -78.73 -21.37 48.13 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.278 -0.569 . . . . 1.26 111.902 -173.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -102.73 -7.31 21.79 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-O 121.477 0.656 . . . . 2.24 110.902 -177.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt -75.91 133.15 40.59 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.457 -0.942 . . . . 1.73 108.457 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -75.74 150.86 37.73 Favored 'General case' 0 C--N 1.298 -1.674 0 C-N-CA 120.844 -0.343 . . . . 3.1 110.765 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.466 ' HD1' HD11 ' A' ' 38' ' ' ILE . 59.0 m-85 -65.41 -26.76 68.13 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.497 -0.32 . . . . 0.43 111.11 177.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.13 -34.61 73.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.214 0.53 . . . . 2.48 109.937 175.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.27 -41.27 66.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.084 0.469 . . . . 2.01 110.626 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.466 HD11 ' HD1' ' A' ' 35' ' ' PHE . 31.8 pt -85.16 3.41 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.32 0.581 . . . . 0.65 111.87 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.32 47.24 72.66 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.319 -0.855 . . . . 0.55 113.122 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.589 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 0.2 OUTLIER -99.3 142.47 30.75 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 110.072 -0.344 . . . . 1.1 110.072 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -95.09 162.86 13.54 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.209 -1.034 . . . . 1.89 108.209 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.487 ' O ' ' HG3' ' A' ' 46' ' ' MET . 14.0 m -70.58 -36.89 73.82 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 122.925 0.49 . . . . 0.88 110.619 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.9 -30.73 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.899 -0.778 . . . . 1.7 108.899 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.1 -37.03 83.22 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.103 -0.953 . . . . 0.46 109.761 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.99 -40.44 83.09 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 116.016 -0.538 . . . . 0.31 110.059 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.531 ' SD ' ' HB3' ' A' ' 62' ' ' ASP . 64.7 mtt -63.86 -35.37 80.4 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.441 -0.8 . . . . 1.7 110.537 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.36 -41.91 69.13 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 109.247 -0.649 . . . . 1.92 109.247 176.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.558 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 89.9 m -60.48 -47.43 86.18 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.445 -0.798 . . . . 0.43 110.547 178.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.39 85.49 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.023 0.44 . . . . 0.29 110.273 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.89 87.0 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 115.805 -0.634 . . . . 0.38 112.652 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.8 ptp180 -67.3 -31.08 71.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.046 -0.661 . . . . 2.54 109.331 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 78' ' ' ILE . 99.0 mt -72.64 -34.04 67.03 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.286 -0.87 . . . . 0.4 110.191 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.501 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 45.2 mt-10 -59.11 -53.76 54.72 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.972 -0.751 . . . . 0.64 108.972 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 t -65.55 -23.85 66.96 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 113.989 -1.459 . . . . 1.33 111.425 -175.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -89.73 -53.44 4.51 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.305 -0.407 . . . . 3.79 111.799 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -90.14 -16.7 29.05 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 114.027 1.121 . . . . 1.17 114.027 -171.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.24 68.9 1.21 Allowed Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.007 -1.092 . . . . 0.91 112.711 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.548 ' HB ' HD23 ' A' ' 82' ' ' LEU . 9.6 p -153.61 168.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.524 -1.287 . . . . 1.17 107.524 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.501 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 52.8 m -137.0 115.54 11.95 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-O 121.337 0.589 . . . . 1.6 109.525 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.6 HD12 HD13 ' A' ' 78' ' ' ILE . 71.9 mt -131.32 121.49 18.54 Favored Pre-proline 0 C--N 1.308 -1.205 0 CA-C-N 115.333 -0.848 . . . . 0.95 109.332 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.402 ' HB2' HG23 ' A' ' 64' ' ' VAL . 72.2 Cg_exo -55.91 141.9 85.18 Favored 'Trans proline' 0 C--O 1.244 0.782 0 C-N-CA 123.239 2.626 . . . . 0.69 112.661 178.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.531 ' HB3' ' SD ' ' A' ' 46' ' ' MET . 4.7 m-20 -53.27 -42.88 66.98 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.013 0.925 . . . . 2.19 111.232 -178.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -61.46 -16.77 50.31 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.107 0.78 . . . . 2.48 113.107 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' A' ' 61' ' ' PRO . 47.4 t -78.81 -32.07 15.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.671 0.748 . . . . 0.56 109.507 178.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.95 -1.56 29.29 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.532 -0.758 . . . . 0.51 110.955 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.8 -7.13 81.78 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 110.886 -0.886 . . . . 0.97 110.886 176.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 48.5 mtm105 -105.24 -0.9 25.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.301 0.482 . . . . 3.52 112.301 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m -91.77 104.44 15.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 108.588 -0.893 . . . . 0.5 108.588 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -85.06 -30.18 24.31 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.334 -0.848 . . . . 1.88 111.769 -174.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.413 ' OG1' ' HG2' ' A' ' 73' ' ' GLU . 43.8 p -124.41 154.21 69.25 Favored Pre-proline 0 N--CA 1.433 -1.297 0 N-CA-C 109.201 -0.666 . . . . 0.43 109.201 178.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.63 -27.06 81.67 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 123.424 2.749 . . . . 0.34 113.528 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.723 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 35.6 ttm105 -59.41 -43.67 92.96 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 109.455 -0.572 . . . . 2.05 109.455 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.413 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 11.1 mm-40 -67.42 -40.54 85.54 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 114.48 -1.236 . . . . 2.23 109.639 -177.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.69 -43.63 96.08 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.571 -0.9 . . . . 1.17 108.571 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.715 ' HB2' HD22 ' A' ' 10' ' ' LEU . 5.0 tt -59.13 -51.13 71.36 Favored 'General case' 0 C--O 1.246 0.89 0 N-CA-C 108.495 -0.928 . . . . 0.6 108.495 178.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.6 -38.69 91.13 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.298 -1.319 . . . . 0.89 111.187 -177.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.49 -50.11 74.92 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 123.136 0.575 . . . . 1.06 111.262 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.6 HD13 HD12 ' A' ' 60' ' ' ILE . 47.8 mm -65.26 -60.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.243 -0.435 . . . . 0.62 110.527 -178.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.54 ' HB3' HD22 ' A' ' 4' ' ' LEU . 80.4 m-20 -63.63 -34.56 78.1 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 112.434 0.531 . . . . 1.45 112.434 -175.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.7 -41.35 98.96 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 111.273 -0.731 . . . . 0.48 111.273 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.28 -35.6 66.18 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 123.774 0.338 . . . . 0.56 110.393 178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.548 HD23 ' HB ' ' A' ' 58' ' ' VAL . 89.7 mt -58.46 -43.15 88.75 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.378 0.609 . . . . 0.72 110.914 176.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 115.677 -0.692 . . . . 0.93 111.22 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.415 -2.223 0 CA-C-O 121.866 0.841 . . . . 1.7 108.837 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.42 125.04 25.48 Favored 'General case' 0 N--CA 1.425 -1.712 0 N-CA-C 108.097 -1.075 . . . . 1.02 108.097 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.4 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 2.1 pt? -64.44 142.48 58.41 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.757 -0.656 . . . . 1.37 110.067 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.5 p -88.39 -170.86 3.12 Favored 'General case' 0 N--CA 1.411 -2.378 0 CA-C-N 116.184 -0.462 . . . . 0.88 110.002 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -71.38 -13.51 61.88 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.115 0.483 . . . . 0.7 110.953 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.91 -49.08 76.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 123.747 0.819 . . . . 2.29 110.294 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.523 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 14.2 m-20 -69.2 -38.34 78.57 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 115.679 -0.691 . . . . 1.83 110.401 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.542 HD22 ' HB2' ' A' ' 75' ' ' LEU . 40.8 tp -60.76 -47.09 87.86 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.148 -0.686 . . . . 0.75 109.148 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -54.78 -61.71 2.13 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.531 1.132 . . . . 2.88 110.762 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 14.6 ptm180 -59.75 -35.8 75.32 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 112.172 0.434 . . . . 3.46 112.172 -176.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.518 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . . . -71.44 -40.75 70.19 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.223 0.535 . . . . 0.63 111.319 -178.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.6 tp -72.72 -39.36 67.01 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.933 -0.576 . . . . 0.62 110.499 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.1 t -63.94 -44.14 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.973 -0.751 . . . . 0.74 108.973 175.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 35.7 tt0 -62.57 -19.31 63.57 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.564 0.746 . . . . 2.04 111.93 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 121.203 0.525 . . . . 1.3 110.935 178.96 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.911 ' HA ' HD13 ' A' ' 33' ' ' LEU . 54.3 p90 . . . . . 0 N--CA 1.441 -0.9 0 CA-C-O 120.592 0.234 . . . . 0.73 111.142 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.52 ' O ' ' HB ' ' A' ' 70' ' ' THR . 5.6 mp -67.79 -26.56 66.15 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.208 0.818 . . . . 1.26 113.208 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -101.15 -0.93 35.18 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.644 0.735 . . . . 2.24 110.952 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.911 HD13 ' HA ' ' A' ' 30' ' ' PHE . 9.8 mp -77.81 99.54 5.96 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.577 -0.527 . . . . 1.73 109.577 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -51.03 140.17 16.25 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.63 0.772 . . . . 3.1 111.911 -178.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.587 ' HA ' HG12 ' A' ' 38' ' ' ILE . 64.7 m-85 -64.22 -31.63 72.91 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.156 -0.475 . . . . 0.43 109.752 177.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.38 -24.82 68.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.816 -1.083 . . . . 2.48 110.226 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -88.84 -36.7 15.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.107 -0.497 . . . . 2.01 110.665 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.587 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.7 pt -86.13 4.81 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.642 0.608 . . . . 0.65 112.642 -178.114 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.67 25.2 54.22 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.249 -0.5 . . . . 0.55 114.116 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.43 136.41 39.41 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 122.326 -0.514 . . . . 1.1 111.138 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -89.35 145.99 24.98 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.76 -1.2 . . . . 1.89 107.76 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.472 ' HA ' HD12 ' A' ' 45' ' ' LEU . 14.7 m -63.18 -20.5 65.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.532 0.682 . . . . 0.88 111.128 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 tt -72.08 -33.45 67.91 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.497 -0.927 . . . . 1.7 108.497 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.76 -28.24 58.38 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.044 0.449 . . . . 0.46 109.979 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 42' ' ' SER . 80.8 mt -64.32 -30.89 71.93 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 115.407 -0.815 . . . . 0.31 110.316 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.529 ' SD ' ' HB3' ' A' ' 62' ' ' ASP . 58.9 mtt -62.95 -37.95 89.1 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.716 -1.129 . . . . 1.7 109.172 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -72.32 -35.58 68.66 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.934 -0.765 . . . . 1.92 108.934 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.568 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 22.1 m -59.51 -52.71 64.39 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.548 -0.751 . . . . 0.43 109.206 176.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.15 90.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.172 -0.467 . . . . 0.29 110.833 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.635 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -55.58 -42.85 75.33 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.237 0.615 . . . . 0.38 112.361 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' A' ' 48' ' ' THR . 8.6 ptp180 -72.26 -27.96 62.82 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.102 -0.639 . . . . 2.54 110.286 -178.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.605 ' HA ' ' HB3' ' A' ' 55' ' ' ARG . 95.4 mt -75.18 -26.78 59.32 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.271 -0.422 . . . . 0.4 110.892 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.635 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 47.2 mt-10 -58.38 -50.31 74.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.64 109.929 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -77.39 -23.76 50.65 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.699 -0.682 . . . . 1.33 110.971 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.605 ' HB3' ' HA ' ' A' ' 52' ' ' LEU . 29.5 tpt180 -68.96 -42.89 76.03 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.228 0.611 . . . . 3.79 111.015 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.417 ' CD1' ' HG3' ' A' ' 55' ' ' ARG . 61.5 m-85 -117.21 3.11 12.64 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.004 1.483 . . . . 1.17 115.004 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.17 57.89 4.97 Favored Glycine 0 C--N 1.311 -0.819 0 C-N-CA 120.333 -0.937 . . . . 0.91 112.025 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.2 p -141.02 173.8 8.63 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 N-CA-C 107.973 -1.121 . . . . 1.17 107.973 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.9 m -138.38 126.22 22.42 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 123.112 0.565 . . . . 1.6 109.607 175.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.643 HD12 HD13 ' A' ' 78' ' ' ILE . 57.5 mt -134.56 120.59 14.66 Favored Pre-proline 0 C--N 1.305 -1.348 0 N-CA-C 109.294 -0.632 . . . . 0.95 109.294 -178.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.452 ' HB2' HG23 ' A' ' 64' ' ' VAL . 51.6 Cg_exo -56.46 146.05 76.38 Favored 'Trans proline' 0 C--O 1.251 1.163 0 C-N-CA 123.457 2.771 . . . . 0.69 113.228 -178.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.529 ' HB3' ' SD ' ' A' ' 46' ' ' MET . 7.6 m-20 -56.07 -44.87 79.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.89 -1.05 . . . . 2.19 110.187 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.583 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 6.2 t70 -52.94 -42.68 65.67 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.828 -0.623 . . . . 2.48 112.143 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' A' ' 61' ' ' PRO . 90.4 t -62.57 -51.2 75.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 C-N-CA 123.195 0.598 . . . . 0.56 110.297 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -64.76 -30.63 71.64 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.639 -0.71 . . . . 0.51 110.983 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.03 26.2 4.42 Favored Glycine 0 C--N 1.314 -0.684 0 C-N-CA 121.361 -0.447 . . . . 0.97 113.235 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 95.8 mtt180 -128.96 -12.06 4.73 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.373 -0.487 . . . . 3.52 110.897 177.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 65' ' ' ALA . 22.1 m -75.64 120.21 25.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 113.005 0.743 . . . . 0.5 113.005 -173.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.38 -54.0 24.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.45 -1.25 . . . . 1.88 111.598 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 59.6 p -122.81 160.84 47.29 Favored Pre-proline 0 N--CA 1.436 -1.166 0 CA-C-N 115.395 -0.82 . . . . 0.43 110.305 -174.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.76 -24.77 73.09 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 123.46 2.773 . . . . 0.34 112.61 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.492 ' HA ' ' HG ' ' A' ' 31' ' ' LEU . 31.0 ttm105 -58.52 -44.82 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.844 -0.799 . . . . 2.05 108.844 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 7.7 mm-40 -68.16 -38.29 81.92 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 114.793 -1.094 . . . . 2.23 109.716 -176.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.33 -44.22 79.63 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.537 -0.912 . . . . 1.17 108.537 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.542 ' HB2' HD22 ' A' ' 10' ' ' LEU . 50.0 tp -61.55 -42.21 98.49 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.307 -0.627 . . . . 0.6 109.307 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.54 -37.35 75.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.495 -1.23 . . . . 0.89 111.164 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 87.9 mt -59.95 -50.75 72.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.099 0.476 . . . . 1.06 110.382 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.643 HD13 HD12 ' A' ' 60' ' ' ILE . 21.1 mm -66.66 -46.99 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.009 -0.737 . . . . 0.62 109.009 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -54.71 -51.3 66.0 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.935 -0.575 . . . . 1.45 111.223 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.76 -47.8 88.04 Favored Glycine 0 N--CA 1.449 -0.464 0 O-C-N 123.694 0.621 . . . . 0.48 112.694 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.81 80.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.875 0.369 . . . . 0.56 111.898 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.2 mt -79.14 -24.34 43.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.487 -0.324 . . . . 0.72 111.545 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.826 0 CA-C-O 120.87 0.367 . . . . 0.93 110.681 -179.805 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.432 -1.348 0 CA-C-O 122.159 0.98 . . . . 1.7 110.111 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.688 HD22 ' HA ' ' A' ' 79' ' ' ASN . 81.3 mt -79.95 155.53 27.65 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.772 -0.649 . . . . 1.02 109.49 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.631 ' HG ' HG21 ' A' ' 78' ' ' ILE . 77.8 mt -76.05 144.71 40.62 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 110.019 -0.363 . . . . 1.37 110.019 -178.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 p -84.87 -177.72 6.65 Favored 'General case' 0 N--CA 1.414 -2.253 0 N-CA-C 108.342 -0.984 . . . . 0.88 108.342 170.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.48 HG23 HD21 ' A' ' 31' ' ' LEU . 26.1 m -69.76 -47.41 63.08 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.263 -1.014 . . . . 0.7 108.263 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.559 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 2.1 p-10 -68.4 -33.32 74.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.565 -0.743 . . . . 2.29 111.624 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.8 -45.54 81.98 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.757 -0.46 . . . . 1.83 109.757 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.565 HD22 ' HB2' ' A' ' 75' ' ' LEU . 61.6 tp -61.8 -44.94 95.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.309 -0.86 . . . . 0.75 109.539 177.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.569 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.9 ttm180 -53.25 -55.24 26.09 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 115.331 -0.849 . . . . 2.88 110.702 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 42.1 mtp85 -61.64 -42.31 98.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.04 -0.527 . . . . 3.46 111.255 -176.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.81 98.65 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.597 0.713 . . . . 0.63 110.67 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.593 HD13 HG21 ' A' ' 48' ' ' THR . 62.6 tp -75.28 -19.25 59.8 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.208 -0.906 . . . . 0.62 111.442 -178.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 11' ' ' ARG . 60.6 t -77.36 -54.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.609 -1.256 . . . . 0.74 107.609 172.229 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -56.77 -20.02 20.06 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.069 1.137 . . . . 2.04 114.069 -176.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 CA--C 1.549 0.909 0 N-CA-C 109.748 -0.464 . . . . 1.3 109.748 178.211 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.6 p90 . . . . . 0 C--O 1.213 -0.85 0 N-CA-C 113.322 0.86 . . . . 0.73 113.322 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.48 HD21 HG23 ' A' ' 7' ' ' THR . 3.2 mm? -69.46 -27.63 65.4 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 120.582 -0.447 . . . . 1.26 110.772 -176.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -96.47 9.53 41.07 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.492 -0.777 . . . . 2.24 111.367 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.8 mt -102.14 133.25 47.28 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.69 -1.226 . . . . 1.73 107.69 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -78.53 164.29 24.83 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.234 -0.654 . . . . 3.1 109.234 -177.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' HA ' HG12 ' A' ' 38' ' ' ILE . 68.1 m-85 -73.7 -27.78 61.39 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.97 -1.122 . . . . 0.43 107.97 175.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.82 -22.8 67.09 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.68 -1.146 . . . . 2.48 110.357 172.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -82.02 -42.66 19.01 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 116.108 -0.496 . . . . 2.01 110.619 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.488 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.2 pt -93.79 11.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 113.926 1.084 . . . . 0.65 113.926 -174.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.48 49.98 47.1 Favored Glycine 0 C--N 1.313 -0.748 0 C-N-CA 121.336 -0.459 . . . . 0.55 113.287 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -125.75 128.37 47.63 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 120.886 0.374 . . . . 1.1 111.329 179.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.506 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.0 m-20 -87.41 165.09 15.83 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.188 -0.671 . . . . 1.89 109.188 175.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.473 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 3.4 m -66.35 -28.89 69.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.067 0.937 . . . . 0.88 109.003 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.446 ' HA ' ' HE2' ' A' ' 46' ' ' MET . 81.7 mt -58.72 -49.47 77.47 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.131 -1.395 . . . . 1.7 110.273 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.86 -26.9 66.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.577 -0.738 . . . . 0.46 111.144 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 79.8 mt -67.19 -31.42 71.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.987 0.422 . . . . 0.31 111.21 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.557 ' SD ' ' HB2' ' A' ' 62' ' ' ASP . 55.8 mtm -69.13 -30.57 68.86 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.669 -0.493 . . . . 1.7 109.669 178.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.84 -44.48 66.37 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.279 -1.008 . . . . 1.92 108.279 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.593 HG21 HD13 ' A' ' 14' ' ' LEU . 60.0 m -59.14 -41.84 89.23 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.916 -0.584 . . . . 0.43 110.647 176.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -68.08 -40.54 82.67 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.458 -0.497 . . . . 0.29 110.61 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.84 -41.82 83.12 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.174 0.59 . . . . 0.38 112.418 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -68.31 -25.72 65.27 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.047 0.451 . . . . 2.54 110.974 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -83.4 -40.37 19.44 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 116.038 -0.528 . . . . 0.4 110.053 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 44.0 mt-10 -53.42 -59.02 5.12 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.292 0.637 . . . . 0.64 110.631 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 p -64.2 -28.85 70.03 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.156 -0.929 . . . . 1.33 112.802 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -85.69 -32.37 21.98 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 112.045 0.387 . . . . 3.79 112.045 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -107.99 -5.11 17.27 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 114.422 1.268 . . . . 1.17 114.422 -174.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.33 55.18 4.08 Favored Glycine 0 C--O 1.247 0.968 0 C-N-CA 120.978 -0.63 . . . . 0.91 112.682 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.0 p -154.2 175.17 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 107.547 -1.279 . . . . 1.17 107.547 -177.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -139.88 144.64 37.31 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-N 118.898 0.772 . . . . 1.6 110.131 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.493 HD11 HD13 ' A' ' 78' ' ' ILE . 69.8 mt -127.64 122.83 22.76 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 107.75 -1.204 . . . . 0.95 107.75 178.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.568 ' HB2' HG23 ' A' ' 64' ' ' VAL . 31.2 Cg_exo -60.05 140.72 93.97 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 122.542 2.161 . . . . 0.69 112.0 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.557 ' HB2' ' SD ' ' A' ' 46' ' ' MET . 4.6 p-10 -60.77 -34.42 74.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.267 -0.424 . . . . 2.19 111.641 -177.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -67.5 -20.21 65.42 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.038 0.447 . . . . 2.48 111.343 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.568 HG23 ' HB2' ' A' ' 61' ' ' PRO . 84.7 t -86.16 -53.33 10.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.287 0 CA-C-N 115.443 -0.799 . . . . 0.56 109.339 178.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.49 82.6 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.43 -0.804 . . . . 0.51 111.066 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 42' ' ' SER . . . -88.28 32.76 4.29 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.905 -0.664 . . . . 0.97 111.795 177.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 64' ' ' VAL . 59.3 ttt180 -137.32 -19.48 1.25 Allowed 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.388 0.675 . . . . 3.52 110.593 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 77' ' ' LEU . 28.5 m -68.84 131.17 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-O 121.663 0.744 . . . . 0.5 111.186 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -93.17 -38.33 11.63 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 114.725 -1.125 . . . . 1.88 111.327 -175.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.5 p -125.78 153.54 73.28 Favored Pre-proline 0 C--N 1.304 -1.411 0 CA-C-N 115.832 -0.622 . . . . 0.43 110.138 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.55 -20.42 70.64 Favored 'Trans proline' 0 C--N 1.367 1.549 0 C-N-CA 123.634 2.89 . . . . 0.34 112.268 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.5 -38.55 77.92 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.579 -0.737 . . . . 2.05 109.973 176.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.582 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.2 mt-10 -73.12 -42.06 63.31 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-N 115.216 -0.902 . . . . 2.23 110.005 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.98 -41.34 91.82 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 108.478 -0.934 . . . . 1.17 108.478 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.565 ' HB2' HD22 ' A' ' 10' ' ' LEU . 57.9 tp -64.07 -45.01 90.65 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.72 -0.673 . . . . 0.6 109.664 176.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -57.39 -41.0 79.41 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.43 -0.804 . . . . 0.89 111.901 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 65.5 mt -55.08 -42.29 72.65 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 123.695 0.622 . . . . 1.06 110.001 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.631 HG21 ' HG ' ' A' ' 5' ' ' LEU . 44.7 mm -73.39 -54.11 16.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 CA-C-N 115.443 -0.799 . . . . 0.62 109.788 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.688 ' HA ' HD22 ' A' ' 4' ' ' LEU . 93.6 m-20 -52.19 -51.51 57.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.545 0.572 . . . . 1.45 112.545 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.24 -44.15 91.47 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.55 -0.357 . . . . 0.48 112.359 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.08 86.56 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.872 0.367 . . . . 0.56 111.685 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.2 mt -77.04 -14.32 59.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.004 0.372 . . . . 0.72 112.004 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.832 0.825 . . . . 0.93 108.974 174.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 N--CA 1.429 -1.477 0 CA-C-O 120.913 0.387 . . . . 1.7 110.177 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.6 mt -76.09 123.22 25.45 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 107.953 -1.128 . . . . 1.02 107.953 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.502 HD22 HD22 ' A' ' 52' ' ' LEU . 4.7 pp -79.52 152.67 30.05 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 120.992 -0.283 . . . . 1.37 111.434 -175.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p -83.77 -179.42 7.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.257 0.551 . . . . 0.88 111.583 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.7 m -81.19 -13.45 58.58 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 122.098 0.952 . . . . 0.7 108.783 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -79.48 -37.46 36.78 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 107.848 -1.167 . . . . 2.29 107.848 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.526 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 33.5 m-20 -65.52 -44.28 87.41 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.442 -0.799 . . . . 1.83 109.535 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.569 HD22 ' HB2' ' A' ' 75' ' ' LEU . 61.9 tp -54.93 -45.7 74.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.616 -0.72 . . . . 0.75 109.97 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -61.56 -59.67 4.87 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.465 -0.789 . . . . 2.88 111.184 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.526 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 16.2 ptm180 -54.49 -38.99 67.1 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.457 0.54 . . . . 3.46 112.457 -176.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.599 ' HB1' ' HD2' ' A' ' 51' ' ' ARG . . . -65.17 -51.98 57.76 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.343 0.592 . . . . 0.63 110.608 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.84 -42.73 97.53 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.792 -1.094 . . . . 0.62 110.801 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.77 -42.42 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.688 -0.687 . . . . 0.74 110.167 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.42 -35.23 65.8 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.585 -0.446 . . . . 2.04 110.617 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.609 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 74.5 m . . . . . 0 N--CA 1.447 -0.605 0 CA-C-O 120.923 0.392 . . . . 1.3 111.862 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.6 p90 . . . . . 0 C--O 1.206 -1.215 0 N-CA-C 109.246 -0.65 . . . . 0.73 109.246 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.65 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.2 mm? -72.38 -33.3 67.12 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.917 -0.583 . . . . 1.26 112.228 -173.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.566 ' HB3' HH22 ' A' ' 72' ' ' ARG . 4.1 p30 -103.27 5.4 37.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.664 0.268 . . . . 2.24 111.188 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.7 tp -73.17 108.61 6.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.124 -1.065 . . . . 1.73 108.124 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 35.0 mtm180 -69.49 131.28 44.48 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-O 120.957 0.408 . . . . 3.1 111.493 -174.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -55.0 -34.84 63.76 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.025 -0.989 . . . . 0.43 111.611 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.91 -38.69 70.57 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 123.813 0.696 . . . . 2.48 110.935 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.29 -39.71 62.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.034 -0.53 . . . . 2.01 110.985 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -88.04 21.65 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 113.294 0.85 . . . . 0.65 113.294 -176.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.08 13.15 79.49 Favored Glycine 0 C--O 1.239 0.407 0 CA-C-N 115.84 -0.618 . . . . 0.55 114.609 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -86.34 121.7 29.27 Favored 'General case' 0 N--CA 1.428 -1.525 0 CA-C-N 117.245 0.522 . . . . 1.1 111.544 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -85.95 149.21 25.36 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.518 -1.29 . . . . 1.89 107.518 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.497 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 14.4 m -60.43 -20.7 60.73 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.058 0.456 . . . . 0.88 111.912 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.13 -38.88 89.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.28 0.562 . . . . 1.7 109.634 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.32 -21.44 60.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.686 -0.688 . . . . 0.46 110.193 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.497 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 55.0 mt -73.49 -33.43 64.81 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.338 -0.616 . . . . 0.31 109.338 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 63.6 mtt -65.08 -44.29 89.37 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 107.957 -1.127 . . . . 1.7 107.957 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.609 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 12.1 tp10 -57.61 -34.5 69.34 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.001 0.92 . . . . 1.92 110.551 175.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.489 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 64.6 m -68.5 -55.86 10.33 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.902 -0.59 . . . . 0.43 109.958 177.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -61.6 -36.2 80.03 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.527 -0.306 . . . . 0.29 111.758 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -52.87 -45.49 67.47 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 123.967 0.907 . . . . 0.38 113.049 -178.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.599 ' HD2' ' HB1' ' A' ' 13' ' ' ALA . 10.0 ptp180 -69.24 -30.8 69.01 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.436 -0.506 . . . . 2.54 110.397 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.502 HD22 HD22 ' A' ' 5' ' ' LEU . 90.4 mt -75.73 -35.57 60.2 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.831 -0.622 . . . . 0.4 109.541 -178.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.545 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.4 mt-10 -57.84 -55.6 32.8 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.771 -0.825 . . . . 0.64 108.771 174.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.2 t -62.4 -34.81 77.46 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 114.965 -1.016 . . . . 1.33 112.517 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -77.34 -32.24 55.04 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.934 -0.706 . . . . 3.79 112.179 -176.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -107.47 -12.72 15.24 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.253 1.205 . . . . 1.17 114.253 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.92 65.5 1.7 Allowed Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.497 -0.859 . . . . 0.91 111.765 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 53' ' ' GLU . 8.3 p -146.24 168.71 6.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 N-CA-C 107.922 -1.14 . . . . 1.17 107.922 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 p -134.88 125.31 26.5 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 118.386 0.539 . . . . 1.6 110.054 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.842 HD12 HD13 ' A' ' 78' ' ' ILE . 54.8 mt -130.37 121.83 19.64 Favored Pre-proline 0 C--N 1.302 -1.47 0 CA-C-N 116.39 -0.368 . . . . 0.95 110.016 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HB2' HG23 ' A' ' 64' ' ' VAL . 51.4 Cg_exo -56.23 151.64 42.65 Favored 'Trans proline' 0 C--O 1.25 1.091 0 C-N-CA 123.516 2.811 . . . . 0.69 114.007 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.81 -54.79 33.41 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 126.23 1.812 . . . . 2.19 110.341 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -60.13 -27.26 66.91 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.785 -1.098 . . . . 2.48 112.171 -175.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.562 HG12 HD13 ' A' ' 77' ' ' LEU . 85.2 t -71.78 -58.69 4.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 109.396 -0.594 . . . . 0.56 109.396 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.74 -38.42 85.08 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.756 -0.657 . . . . 0.51 110.251 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.43 42.23 3.01 Favored Glycine 0 N--CA 1.436 -1.363 0 CA-C-N 115.712 -0.677 . . . . 0.97 112.326 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -134.53 -32.53 1.02 Allowed 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 122.688 0.395 . . . . 3.52 110.847 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.6 m -62.54 134.66 27.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 112.859 0.689 . . . . 0.5 112.859 -176.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 6.6 m-20 -93.18 -33.6 13.94 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 108.391 -0.966 . . . . 1.88 108.391 179.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.541 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 38.8 p -113.9 141.88 26.91 Favored Pre-proline 0 N--CA 1.436 -1.134 0 CA-C-N 115.048 -0.978 . . . . 0.43 111.671 -175.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 70' ' ' THR . 52.9 Cg_exo -61.03 -24.17 78.97 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.593 2.862 . . . . 0.34 111.83 178.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.65 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.7 ttm180 -59.17 -39.99 84.23 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.004 -0.544 . . . . 2.05 109.57 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.606 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.4 mm-40 -77.49 -33.45 54.48 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 115.92 -0.582 . . . . 2.23 110.925 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.66 -40.79 96.05 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.512 -0.921 . . . . 1.17 108.512 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HB2' HD22 ' A' ' 10' ' ' LEU . 46.5 tp -60.28 -45.92 91.63 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.871 0.843 . . . . 0.6 108.956 174.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.87 -36.92 85.92 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.247 -1.342 . . . . 0.89 111.835 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 87.1 mt -59.23 -52.38 65.92 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 110.265 -0.272 . . . . 1.06 110.265 177.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.842 HD13 HD12 ' A' ' 60' ' ' ILE . 41.3 mm -64.35 -63.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.333 -0.849 . . . . 0.62 110.056 -178.077 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.03 -34.51 73.48 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 122.946 0.498 . . . . 1.45 112.135 -175.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -39.67 90.24 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.155 -0.778 . . . . 0.48 111.155 177.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.45 -26.27 60.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.216 0.531 . . . . 0.56 110.142 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 78' ' ' ILE . 96.8 mt -70.83 -37.97 73.22 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.452 -0.573 . . . . 0.72 109.452 174.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 121.644 0.735 . . . . 0.93 110.708 176.291 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.406 HG23 ' HD1' ' A' ' 56' ' ' TYR . 5.6 t . . . . . 0 N--CA 1.421 -1.906 0 N-CA-C 107.579 -1.267 . . . . 1.7 107.579 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 pp -97.64 158.92 15.24 Favored 'General case' 0 N--CA 1.412 -2.347 0 CA-C-N 115.371 -0.831 . . . . 1.02 109.537 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.701 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 4.0 pp -104.58 148.92 25.98 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 112.189 0.44 . . . . 1.37 112.189 -175.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.6 p -96.46 -170.14 2.03 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 115.43 -0.804 . . . . 0.88 110.813 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.401 HG23 HD21 ' A' ' 31' ' ' LEU . 26.2 m -55.52 -54.51 43.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.685 0.794 . . . . 0.7 109.887 178.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -62.99 -32.22 73.51 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 113.568 0.951 . . . . 2.29 113.568 -179.19 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 49.6 m-20 -69.77 -42.04 74.34 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.384 -0.526 . . . . 1.83 109.623 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 75' ' ' LEU . 62.3 tp -65.23 -42.89 92.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.913 -0.773 . . . . 0.75 108.913 176.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 15' ' ' VAL . 56.3 ttt180 -49.64 -61.12 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.75 1.22 . . . . 2.88 111.249 176.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.484 ' HE ' ' HA ' ' A' ' 9' ' ' ASP . 17.4 ptt180 -65.11 -27.93 69.09 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.799 0.666 . . . . 3.46 112.799 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.419 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -72.99 -38.21 66.71 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.175 -0.466 . . . . 0.63 110.599 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.46 -40.07 67.29 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.959 -0.564 . . . . 0.62 109.529 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 11' ' ' ARG . 97.2 t -57.71 -35.2 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-O 121.44 0.638 . . . . 0.74 109.526 175.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -69.58 -35.15 75.08 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.996 -1.002 . . . . 2.04 110.531 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.444 -0.733 0 CA-C-N 116.399 -0.364 . . . . 1.3 110.949 178.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' HA ' HD12 ' A' ' 33' ' ' LEU . 24.5 p90 . . . . . 0 C--O 1.205 -1.254 0 CA-C-O 120.947 0.403 . . . . 0.73 110.964 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.5 mm? -77.67 -30.24 51.91 Favored 'General case' 0 C--N 1.312 -1.031 0 O-C-N 122.083 -0.385 . . . . 1.26 110.686 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.12 -5.17 56.8 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.415 -0.811 . . . . 2.24 109.403 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 30' ' ' PHE . 81.1 mt -92.26 97.99 11.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 115.452 -0.794 . . . . 1.73 109.366 -177.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -59.08 151.95 21.26 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 115.198 -0.91 . . . . 3.1 111.736 -177.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.607 ' HA ' HG12 ' A' ' 38' ' ' ILE . 84.0 m-85 -63.6 -25.67 68.34 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.264 -0.88 . . . . 0.43 111.701 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.88 -23.23 67.17 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.636 -0.711 . . . . 2.48 111.567 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -83.47 -43.91 15.3 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 109.408 -0.59 . . . . 2.01 109.408 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.607 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -82.6 17.08 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 113.502 0.927 . . . . 0.65 113.502 -175.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.65 22.37 75.2 Favored Glycine 0 C--O 1.242 0.64 0 N-CA-C 114.446 0.538 . . . . 0.55 114.446 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -88.88 143.21 27.04 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.656 0.984 . . . . 1.1 113.656 -176.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -99.56 152.21 20.29 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.538 -1.653 . . . . 1.89 106.538 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.556 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 43.2 m -67.08 -24.37 65.95 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.257 0.551 . . . . 0.88 111.263 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.7 -27.01 65.57 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.822 0.82 . . . . 1.7 109.557 176.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 47' ' ' GLU . . . -81.64 -18.49 44.43 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.125 -0.943 . . . . 0.46 109.964 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.556 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 35.6 mt -74.71 -34.97 62.7 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.809 -0.811 . . . . 0.31 108.809 177.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtp -63.72 -42.17 97.97 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 114.898 -1.046 . . . . 1.7 108.981 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 14.2 tp10 -55.22 -45.04 75.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.823 0.849 . . . . 1.92 109.789 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.6 m -64.29 -58.03 7.7 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.058 -0.974 . . . . 0.43 110.953 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.437 ' HB2' HD21 ' A' ' 74' ' ' LEU . . . -61.81 -34.18 75.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.351 0.5 . . . . 0.29 112.351 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.22 71.6 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 123.107 0.563 . . . . 0.38 112.331 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -73.87 -28.66 61.68 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.028 -0.669 . . . . 2.54 109.712 -178.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.419 HD21 ' CB ' ' A' ' 13' ' ' ALA . 75.2 mt -72.58 -40.56 66.49 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.418 -0.81 . . . . 0.4 109.509 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.5 mt-10 -57.75 -49.04 77.91 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.693 -0.685 . . . . 0.64 109.569 175.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 m -62.76 -43.6 98.38 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.338 -1.301 . . . . 1.33 112.037 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -83.65 -37.83 22.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.713 0.635 . . . . 3.79 112.713 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.406 ' HD1' HG23 ' A' ' 3' ' ' THR . 85.5 m-85 -97.76 -10.51 24.73 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.177 0.806 . . . . 1.17 113.177 -173.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.21 58.54 2.3 Favored Glycine 0 CA--C 1.508 -0.387 0 C-N-CA 121.071 -0.585 . . . . 0.91 113.339 174.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.496 ' HB ' HD21 ' A' ' 82' ' ' LEU . 11.9 p -142.4 169.69 12.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 108.768 -0.826 . . . . 1.17 108.768 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.9 m -128.59 124.37 35.7 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.323 -0.621 . . . . 1.6 109.323 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.466 HD11 HD13 ' A' ' 78' ' ' ILE . 67.0 mt -124.77 111.71 27.39 Favored Pre-proline 0 C--N 1.306 -1.311 0 N-CA-C 109.313 -0.625 . . . . 0.95 109.313 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.582 ' HB2' HG23 ' A' ' 64' ' ' VAL . 54.6 Cg_exo -53.91 145.27 52.17 Favored 'Trans proline' 0 C--O 1.252 1.203 0 C-N-CA 122.761 2.307 . . . . 0.69 112.103 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -57.08 -37.28 71.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.452 1.101 . . . . 2.19 112.426 -175.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -69.81 -31.61 69.6 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 123.285 0.634 . . . . 2.48 111.096 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.582 HG23 ' HB2' ' A' ' 61' ' ' PRO . 58.8 t -71.12 -58.87 4.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 N-CA-C 109.031 -0.729 . . . . 0.56 109.031 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.94 70.45 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.001 -1.0 . . . . 0.51 111.078 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.51 31.44 5.48 Favored Glycine 0 N--CA 1.433 -1.521 0 C-N-CA 120.636 -0.792 . . . . 0.97 113.205 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -140.33 12.34 2.37 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 117.69 0.745 . . . . 3.52 110.598 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.5 HG21 HD23 ' A' ' 74' ' ' LEU . 19.0 m -94.97 105.59 17.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 O-C-N 121.346 -0.847 . . . . 0.5 111.103 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.49 -43.66 93.45 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.693 0.627 . . . . 1.88 112.693 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.1 p -107.19 143.74 27.75 Favored Pre-proline 0 C--N 1.306 -1.325 0 C-N-CA 120.708 -0.397 . . . . 0.43 110.23 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 54.3 Cg_exo -57.86 -26.87 76.14 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.476 2.784 . . . . 0.34 112.182 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.501 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 45.1 ttm180 -61.23 -36.7 80.66 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.817 -0.629 . . . . 2.05 110.644 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 14.1 mm-40 -65.27 -37.42 87.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.53 -0.305 . . . . 2.23 111.251 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.5 HD23 HG21 ' A' ' 68' ' ' VAL . 2.2 tm? -73.61 -40.89 63.49 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 108.194 -1.039 . . . . 1.17 108.194 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.56 ' HB2' HD22 ' A' ' 10' ' ' LEU . 58.7 tp -58.23 -55.92 28.78 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.888 0.875 . . . . 0.6 109.881 176.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.01 -34.35 77.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.659 -1.155 . . . . 0.89 111.201 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 73' ' ' GLU . 2.4 tt -55.11 -53.31 57.55 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.575 -1.268 . . . . 1.06 107.575 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.532 HG21 ' HG ' ' A' ' 5' ' ' LEU . 45.7 mm -58.29 -58.91 4.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.112 -0.949 . . . . 0.62 109.614 178.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -51.87 -54.99 22.81 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.082 0.864 . . . . 1.45 111.462 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.34 -46.73 92.13 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.707 -0.679 . . . . 0.48 113.439 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.29 94.55 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 117.029 0.414 . . . . 0.56 111.039 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.496 HD21 ' HB ' ' A' ' 58' ' ' VAL . 95.8 mt -70.4 -41.95 72.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.629 -0.714 . . . . 0.72 111.696 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.653 0 CA-C-O 120.575 0.226 . . . . 0.93 111.375 179.652 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 CA--C 1.518 -0.251 0 N-CA-C 109.999 -0.371 . . . . 5.31 109.999 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.42 82.02 0.9 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 120.747 0.308 . . . . 1.46 110.949 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.691 HG23 ' HD1' ' A' ' 56' ' ' TYR . 9.2 t -78.85 106.81 11.12 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.687 -1.227 . . . . 1.7 107.687 175.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.592 HD22 ' HA ' ' A' ' 79' ' ' ASN . 78.8 mt -91.16 127.75 36.71 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.734 -0.604 . . . . 1.02 111.021 -174.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.493 HD22 HG21 ' A' ' 78' ' ' ILE . 2.2 pt? -68.97 141.64 54.88 Favored 'General case' 0 C--O 1.251 1.148 0 N-CA-C 108.448 -0.945 . . . . 1.37 108.448 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.1 p -96.82 -170.48 2.06 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 116.066 -0.515 . . . . 0.88 110.978 -176.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.2 m -57.65 -53.92 52.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.856 -0.794 . . . . 0.7 108.856 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.76 -41.52 74.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.957 -1.02 . . . . 2.29 112.627 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -64.57 -47.87 77.11 Favored 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 123.573 0.546 . . . . 1.83 110.368 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.628 HD22 ' HB2' ' A' ' 75' ' ' LEU . 41.4 tp -61.89 -45.0 95.64 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.234 -0.654 . . . . 0.75 109.234 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.681 ' HG3' ' HB2' ' A' ' 26' ' ' LEU . 26.5 ttp85 -52.37 -59.93 3.83 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.752 0.821 . . . . 2.88 111.392 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -60.27 -43.05 96.52 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.98 -0.555 . . . . 3.46 112.0 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.85 86.96 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.182 -0.463 . . . . 0.63 110.935 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 26' ' ' LEU . 37.5 tp -67.66 -30.82 70.46 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.473 -0.33 . . . . 0.62 111.757 -176.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t -72.78 -37.64 55.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.084 -0.71 . . . . 0.74 109.084 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.53 -35.66 76.53 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.295 -0.866 . . . . 2.04 111.463 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' HH12 ' A' ' 51' ' ' ARG . 2.7 p -79.68 -3.41 47.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.23 0.826 . . . . 1.3 113.23 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.56 -11.59 55.75 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.006 -0.739 . . . . 1.93 109.006 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.63 -103.43 2.04 Favored Glycine 0 N--CA 1.417 -2.591 0 N-CA-C 109.688 -1.365 . . . . 2.29 109.688 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -80.79 154.32 27.25 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.783 -0.451 . . . . 5.38 109.783 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -78.17 83.38 4.44 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 121.626 0.727 . . . . 6.11 109.543 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.82 -56.84 5.02 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 107.803 -1.184 . . . . 5.17 107.803 173.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.37 58.98 0.52 Allowed Glycine 0 N--CA 1.419 -2.443 0 CA-C-N 115.093 -0.958 . . . . 3.06 112.161 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.584 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 25.2 m -72.76 106.14 4.61 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 104.42 -2.437 . . . . 2.78 104.42 170.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -59.44 110.25 1.06 Allowed 'General case' 0 CA--C 1.507 -0.709 0 CA-C-O 122.704 1.24 . . . . 2.9 112.405 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.681 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 44.8 mt -124.78 49.76 1.81 Allowed 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 113.679 -1.601 . . . . 1.38 107.667 -177.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.0 m -116.31 155.87 27.65 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.953 -0.567 . . . . 1.8 110.025 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 -126.14 7.38 Favored Glycine 0 N--CA 1.433 -1.538 0 N-CA-C 109.816 -1.314 . . . . 1.82 109.816 -178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -114.33 85.66 2.27 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.101 -1.074 . . . . 2.57 108.101 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -99.94 10.23 41.63 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 114.962 -1.017 . . . . 0.73 109.506 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.9 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 2.8 mm? -72.96 -11.86 60.73 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.462 -0.79 . . . . 1.26 112.161 -173.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -94.47 0.4 55.33 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 120.908 0.385 . . . . 2.24 110.575 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -78.73 169.96 17.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.864 -1.162 . . . . 1.73 107.864 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HD2' ' OD2' ' A' ' 69' ' ' ASP . 31.7 mtm180 -124.88 147.6 48.72 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.082 -1.047 . . . . 3.1 111.335 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.49 ' HA ' HG12 ' A' ' 38' ' ' ILE . 44.2 m-85 -65.58 -35.95 82.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.937 -0.574 . . . . 0.43 111.273 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.7 -36.76 84.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.963 0.887 . . . . 2.48 109.088 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.62 -37.44 65.39 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.151 -0.931 . . . . 2.01 110.56 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.49 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.1 pt -88.18 14.51 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 111.879 0.326 . . . . 0.65 111.879 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.88 44.15 96.52 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 116.011 -0.54 . . . . 0.55 114.32 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.442 ' OH ' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -103.77 136.94 42.52 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.527 0.679 . . . . 1.1 111.345 179.139 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.76 ' HA ' H302 ' A' ' 87' ' ' PNS . 12.6 m-20 -82.52 146.54 29.17 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 114.812 -1.085 . . . . 1.89 108.234 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 64.4 m -67.86 -28.53 67.62 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.278 0.561 . . . . 0.88 110.428 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.0 mt -60.88 -38.55 86.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.367 -0.833 . . . . 1.7 108.784 172.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.18 -28.65 62.33 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.011 -0.995 . . . . 0.46 110.329 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.473 HD13 HG23 ' A' ' 68' ' ' VAL . 74.9 mt -70.0 -40.07 75.51 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.318 -0.623 . . . . 0.31 109.318 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 84.2 mtp -61.63 -43.4 98.93 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.421 -0.809 . . . . 1.7 109.19 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.56 -44.08 97.69 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.716 -0.674 . . . . 1.92 110.503 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.436 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 94.6 m -58.06 -52.34 65.93 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 115.537 -0.756 . . . . 0.43 109.505 175.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.43 -43.74 96.47 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.84 -0.618 . . . . 0.29 111.394 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.62 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -53.83 -37.78 63.95 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.756 0.822 . . . . 0.38 112.179 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.53 HH12 ' HB3' ' A' ' 17' ' ' SER . 29.7 ttp180 -68.06 -40.35 82.8 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.763 0.792 . . . . 2.54 110.523 178.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.2 mt -77.14 -28.6 54.3 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.385 -0.825 . . . . 0.4 110.915 -176.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.62 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 52.7 mt-10 -56.13 -59.21 5.25 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 123.51 0.506 . . . . 0.64 110.693 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.1 t -66.62 -34.57 78.18 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.038 -0.983 . . . . 1.33 110.534 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -70.78 -45.52 64.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.57 0.581 . . . . 3.79 112.57 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.691 ' HD1' HG23 ' A' ' 3' ' ' THR . 92.8 m-85 -104.28 -13.86 16.01 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 114.743 1.386 . . . . 1.17 114.743 -173.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.47 49.15 2.84 Favored Glycine 0 C--N 1.302 -1.326 0 C-N-CA 119.667 -1.254 . . . . 0.91 112.721 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 31.1 m -131.74 170.99 18.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 N-CA-C 108.957 -0.757 . . . . 1.17 108.957 177.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.2 p -143.11 119.86 11.18 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 108.654 -0.869 . . . . 1.6 108.654 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.53 HD11 HD13 ' A' ' 78' ' ' ILE . 71.8 mt -112.07 114.34 51.34 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.676 -0.49 . . . . 0.95 109.676 -176.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.536 ' HB2' HG23 ' A' ' 64' ' ' VAL . 52.3 Cg_exo -53.64 144.72 51.74 Favored 'Trans proline' 0 C--O 1.246 0.92 0 C-N-CA 122.598 2.199 . . . . 0.69 111.739 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -43.54 -53.68 5.41 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.936 1.294 . . . . 2.19 113.274 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.94 -28.04 66.28 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 113.286 0.847 . . . . 2.48 113.286 -174.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.536 HG23 ' HB2' ' A' ' 61' ' ' PRO . 61.9 t -63.13 -47.92 90.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 120.978 0.418 . . . . 0.56 110.66 -177.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 -16.03 63.99 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.933 -0.576 . . . . 0.51 111.933 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.16 -7.73 76.48 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.52 -0.848 . . . . 0.97 111.063 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -102.32 11.85 37.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.891 0.7 . . . . 3.52 112.891 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.678 HG21 HD23 ' A' ' 74' ' ' LEU . 29.9 m -101.45 112.36 34.21 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.539 0.685 . . . . 0.5 110.773 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.435 ' OD2' ' HD2' ' A' ' 34' ' ' ARG . 20.8 t70 -88.63 -39.28 14.18 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.71 -0.677 . . . . 1.88 110.862 -176.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.8 p -111.59 152.9 44.35 Favored Pre-proline 0 C--N 1.303 -1.441 0 CA-C-N 116.002 -0.544 . . . . 0.43 110.356 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 32.2 Cg_exo -60.28 -26.06 81.69 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 123.164 2.576 . . . . 0.34 112.471 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.9 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 7.8 ptp180 -62.03 -37.51 85.18 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.448 -0.342 . . . . 2.05 110.568 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 44.2 mt-10 -69.87 -43.61 71.5 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 123.293 0.371 . . . . 2.23 110.399 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.678 HD23 HG21 ' A' ' 68' ' ' VAL . 2.9 tm? -64.12 -39.69 94.57 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.38 -0.6 . . . . 1.17 109.38 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.628 ' HB2' HD22 ' A' ' 10' ' ' LEU . 46.1 tp -66.16 -43.85 85.76 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-O 121.44 0.638 . . . . 0.6 109.369 177.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.84 -27.1 67.99 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 114.783 -1.099 . . . . 0.89 110.952 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 78.7 mt -61.71 -51.12 69.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.15 -0.315 . . . . 1.06 110.15 176.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.53 HD13 HD11 ' A' ' 60' ' ' ILE . 32.7 mm -67.43 -58.08 7.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.202 -0.666 . . . . 0.62 109.202 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.592 ' HA ' HD22 ' A' ' 4' ' ' LEU . 88.9 m-20 -53.2 -49.37 66.88 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.205 -0.907 . . . . 1.45 110.878 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.28 -44.62 95.26 Favored Glycine 0 N--CA 1.434 -1.478 0 CA-C-N 115.22 -0.9 . . . . 0.48 113.013 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.35 98.47 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.943 0.372 . . . . 0.56 111.159 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 56' ' ' TYR . 83.6 mt -64.76 -39.31 93.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.72 111.79 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.29 -32.6 66.74 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.174 0.512 . . . . 0.93 110.705 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.6 -59.02 2.93 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.454 -0.794 . . . . 2.7 110.839 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -149.68 103.93 3.29 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-O 121.445 0.64 . . . . 2.73 110.886 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.283 -2.321 0 N-CA-C 107.428 -1.323 . . . . 5.02 107.428 176.381 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PNS . . . . . 0.76 H302 ' HA ' ' A' ' 41' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtm . . . . . 0 CA--C 1.508 -0.639 0 N-CA-C 109.572 -0.529 . . . . 5.31 109.572 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.56 153.16 21.62 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 107.771 -1.196 . . . . 1.46 107.771 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.0 p -71.94 106.82 4.39 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 123.163 0.29 . . . . 1.7 110.406 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.702 HD22 ' HA ' ' A' ' 79' ' ' ASN . 84.2 mt -98.75 168.05 10.39 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.363 -0.606 . . . . 1.02 109.363 178.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.606 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? -129.03 154.13 46.93 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.84 -0.344 . . . . 1.37 110.277 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -101.05 -170.46 1.84 Allowed 'General case' 0 C--N 1.3 -1.571 0 O-C-N 123.596 0.56 . . . . 0.88 109.967 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 54.9 m -67.34 -38.75 85.37 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 122.682 0.393 . . . . 0.7 110.6 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.559 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 25.8 t70 -67.88 -30.33 69.66 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.084 0.469 . . . . 2.29 110.722 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.606 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 14.3 m-20 -68.69 -48.69 63.26 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.041 -0.726 . . . . 1.83 109.041 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.74 HD22 ' HB2' ' A' ' 75' ' ' LEU . 54.8 tp -60.01 -38.7 83.43 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.722 -0.672 . . . . 0.75 109.606 177.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.583 ' HG3' ' HB3' ' A' ' 26' ' ' LEU . 63.8 ttt180 -51.47 -60.36 3.23 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.428 1.091 . . . . 2.88 110.377 176.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 41.0 mtt180 -64.92 -33.62 76.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.02 0.438 . . . . 3.46 110.679 -176.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -67.71 -37.04 81.72 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.793 -0.639 . . . . 0.63 111.503 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.646 HD23 HD21 ' A' ' 26' ' ' LEU . 30.9 tp -80.78 -33.55 34.84 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.029 0.443 . . . . 0.62 110.04 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 t -53.93 -41.4 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.996 0.918 . . . . 0.74 110.894 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -56.74 -27.66 59.7 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 113.747 1.018 . . . . 2.04 113.747 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.468 ' HB3' HH12 ' A' ' 51' ' ' ARG . 6.3 p -91.04 -2.89 57.59 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.655 -0.653 . . . . 1.3 112.669 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -102.03 -47.53 4.53 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.119 -1.067 . . . . 1.93 108.119 175.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.63 159.28 10.57 Favored Glycine 0 N--CA 1.425 -2.04 0 N-CA-C 109.872 -1.291 . . . . 2.29 109.872 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.61 119.25 10.78 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 117.439 0.619 . . . . 5.38 109.432 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 m 71.84 20.54 4.49 Favored 'General case' 0 CA--C 1.563 1.458 0 C-N-CA 124.395 1.078 . . . . 6.11 110.687 -176.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -127.11 133.9 50.32 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 121.382 -0.824 . . . . 5.17 111.219 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.69 140.35 7.36 Favored Glycine 0 N--CA 1.4 -3.719 0 N-CA-C 108.318 -1.913 . . . . 3.06 108.318 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 m -78.09 71.14 4.55 Favored 'General case' 0 C--N 1.272 -2.77 0 CA-C-O 121.621 0.724 . . . . 2.78 110.847 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 t70 67.28 67.01 0.4 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.945 2.098 . . . . 2.9 111.789 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.646 HD21 HD23 ' A' ' 14' ' ' LEU . 9.2 mp -115.62 80.21 1.41 Allowed 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.163 -1.381 . . . . 1.38 107.3 176.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.6 m -136.29 112.07 9.47 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 115.448 -0.796 . . . . 1.8 109.435 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.88 -82.28 1.67 Allowed Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.383 -0.687 . . . . 1.82 111.383 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -144.34 146.76 32.75 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.732 -1.21 . . . . 2.57 107.732 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 30.4 p90 -145.8 14.59 1.37 Allowed 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.023 0.439 . . . . 0.73 110.147 -178.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.541 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 8.4 mp -70.38 -21.39 62.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.091 0.556 . . . . 1.26 112.406 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.48 -2.13 57.32 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.802 0.689 . . . . 2.24 110.979 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.0 mt -91.1 175.19 7.04 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.416 -0.957 . . . . 1.73 108.416 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -116.99 144.31 44.73 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 109.235 -0.654 . . . . 3.1 109.235 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 71' ' ' PRO . 54.6 m-85 -65.32 -33.36 75.79 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.315 -0.402 . . . . 0.43 110.667 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.97 -39.24 81.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.982 0.801 . . . . 2.48 110.883 -179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -73.65 -38.73 64.89 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 116.462 -0.335 . . . . 2.01 110.971 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.9 pt -85.07 20.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 113.347 0.869 . . . . 0.65 113.347 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.36 7.81 87.75 Favored Glycine 0 C--N 1.316 -0.58 0 N-CA-C 114.413 0.525 . . . . 0.55 114.413 174.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -96.09 156.46 16.33 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-N 117.316 0.558 . . . . 1.1 110.662 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.573 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -141.42 171.92 13.4 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.25 -0.648 . . . . 1.89 109.25 177.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -42.29 -48.36 4.98 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 127.136 2.174 . . . . 0.88 113.299 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.15 -35.7 74.22 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.291 0.567 . . . . 1.7 111.661 -175.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.12 -28.39 65.34 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.796 0.808 . . . . 0.46 109.566 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 82.0 mt -78.3 -38.31 42.72 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.343 -0.844 . . . . 0.31 110.702 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.428 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 74.5 mtp -58.21 -43.61 87.74 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 123.624 0.578 . . . . 1.7 109.566 175.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -57.77 -51.59 68.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.19 -0.914 . . . . 1.92 109.872 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.9 m -55.92 -50.36 70.91 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.839 -1.073 . . . . 0.43 110.507 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.64 -43.19 99.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.533 -0.303 . . . . 0.29 111.189 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -59.17 -43.11 92.12 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.452 0.538 . . . . 0.38 112.452 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.468 HH12 ' HB3' ' A' ' 17' ' ' SER . 17.2 ptt-85 -69.53 -24.66 63.76 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.863 -0.735 . . . . 2.54 111.053 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' A' ' 13' ' ' ALA . 90.4 mt -77.86 -34.77 51.55 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.069 -0.514 . . . . 0.4 109.744 176.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.609 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.7 mt-10 -57.78 -49.71 75.7 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.084 -0.71 . . . . 0.64 109.084 174.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -64.25 -27.51 69.1 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.251 -0.886 . . . . 1.33 112.195 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -89.72 -43.98 10.32 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.206 -0.598 . . . . 3.79 111.943 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -94.24 -21.17 19.21 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 113.553 0.946 . . . . 1.17 113.553 -174.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.98 65.6 1.59 Allowed Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.038 -1.077 . . . . 0.91 110.492 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 53' ' ' GLU . 14.8 p -139.64 168.7 17.75 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 107.84 -1.17 . . . . 1.17 107.84 -177.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -133.26 119.89 20.38 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 118.471 0.578 . . . . 1.6 109.722 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.543 HD11 HD13 ' A' ' 78' ' ' ILE . 66.7 mt -128.0 115.91 20.47 Favored Pre-proline 0 C--N 1.31 -1.121 0 N-CA-C 109.575 -0.528 . . . . 0.95 109.575 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.488 ' HB2' HG23 ' A' ' 64' ' ' VAL . 31.9 Cg_exo -59.42 153.6 53.1 Favored 'Trans proline' 0 C--O 1.253 1.242 0 C-N-CA 122.795 2.33 . . . . 0.69 112.335 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -59.0 -47.89 83.56 Favored 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 124.009 0.923 . . . . 2.19 110.518 -176.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.29 -21.51 64.01 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 114.762 -1.108 . . . . 2.48 111.912 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.488 HG23 ' HB2' ' A' ' 61' ' ' PRO . 57.7 t -85.72 -57.87 3.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 109.486 -0.561 . . . . 0.56 109.486 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 46' ' ' MET . . . -57.71 -36.11 71.55 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.662 -0.699 . . . . 0.51 111.294 -178.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.97 39.71 2.83 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 120.836 -0.697 . . . . 0.97 111.951 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -143.22 2.55 1.3 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.872 0.844 . . . . 3.52 109.776 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.433 HG23 HD13 ' A' ' 45' ' ' LEU . 27.3 m -91.93 121.07 42.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.75 -0.594 . . . . 0.5 109.908 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -95.76 -29.79 14.06 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.531 0.682 . . . . 1.88 110.211 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 56.3 p -111.09 141.12 23.61 Favored Pre-proline 0 N--CA 1.432 -1.335 0 CA-C-N 115.726 -0.67 . . . . 0.43 110.157 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.541 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -58.86 -24.17 70.96 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.476 2.784 . . . . 0.34 112.611 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HA ' ' HG ' ' A' ' 31' ' ' LEU . 44.2 ttm180 -57.71 -44.35 85.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.718 -0.673 . . . . 2.05 109.559 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 39.0 mt-10 -64.48 -46.76 81.63 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.459 -0.791 . . . . 2.23 110.734 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.34 -44.25 95.71 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.202 -0.666 . . . . 1.17 109.202 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.74 ' HB2' HD22 ' A' ' 10' ' ' LEU . 55.9 tp -63.58 -46.42 85.95 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.605 -0.725 . . . . 0.6 109.85 178.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.55 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.768 -1.106 . . . . 0.89 111.926 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 84.7 mt -58.3 -51.94 67.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.664 0.268 . . . . 1.06 110.367 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.543 HD13 HD11 ' A' ' 60' ' ' ILE . 31.3 mm -63.61 -56.67 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 108.808 -0.812 . . . . 0.62 108.808 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.702 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.6 m120 -51.16 -54.39 25.8 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.244 -0.889 . . . . 1.45 111.693 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.08 -53.79 42.04 Favored Glycine 0 N--CA 1.436 -1.352 0 CA-C-N 115.711 -0.677 . . . . 0.48 113.121 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.87 81.3 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 112.061 0.393 . . . . 0.56 112.061 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.3 mt -76.05 -33.06 59.59 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 112.088 0.403 . . . . 0.72 112.088 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.75 -23.3 45.46 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.599 0.238 . . . . 0.93 111.639 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -90.78 -19.53 23.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.857 0.36 . . . . 2.7 110.258 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.37 77.54 7.13 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.381 0.61 . . . . 2.73 110.441 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.843 0 N-CA-C 107.559 -1.274 . . . . 5.02 107.559 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 CA--C 1.51 -0.573 0 N-CA-C 108.831 -0.803 . . . . 5.31 108.831 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.58 145.67 36.0 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.958 -0.565 . . . . 1.46 109.829 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -79.27 107.89 12.37 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.681 0.753 . . . . 1.7 109.168 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' A' ' 79' ' ' ASN . 83.8 mt -78.36 167.5 21.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.375 0.607 . . . . 1.02 112.158 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 9' ' ' ASP . 76.1 mt -84.8 141.29 30.6 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-N 115.518 -0.764 . . . . 1.37 109.969 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.7 p -94.2 -170.47 2.3 Favored 'General case' 0 N--CA 1.415 -2.187 0 N-CA-C 107.056 -1.461 . . . . 0.88 107.056 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.5 HG23 HD21 ' A' ' 31' ' ' LEU . 43.3 m -68.76 -45.55 71.11 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 118.058 0.39 . . . . 0.7 110.226 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.552 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 34.8 t70 -68.66 -23.92 64.47 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 111.888 0.329 . . . . 2.29 111.888 -178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.467 ' HB3' HD22 ' A' ' 5' ' ' LEU . 3.0 m-20 -59.52 -51.69 68.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.288 0.566 . . . . 1.83 110.358 175.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.462 HD22 ' HE1' ' A' ' 30' ' ' PHE . 4.4 tt -65.44 -41.36 93.55 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 107.612 -1.255 . . . . 0.75 107.612 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HD3' ' OD1' ' A' ' 8' ' ' ASP . 54.5 ttt180 -53.55 -53.81 46.26 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.607 -0.724 . . . . 2.88 111.587 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 91.9 mtt180 -58.84 -44.36 90.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.924 0.392 . . . . 3.46 110.902 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.26 62.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.014 -0.539 . . . . 0.63 111.978 -176.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.437 HD23 HD21 ' A' ' 26' ' ' LEU . 25.6 tp -83.02 -24.88 32.65 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.04 0.448 . . . . 0.62 110.276 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 11' ' ' ARG . 98.7 t -72.77 -17.7 18.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 121.712 0.767 . . . . 0.74 110.336 176.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 14.1 mm-40 -71.77 -28.86 63.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.618 -0.719 . . . . 2.04 111.947 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 p -88.05 -8.99 54.73 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.255 0.55 . . . . 1.3 111.612 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.29 -42.98 7.53 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.405 0.622 . . . . 1.93 109.323 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.83 -110.46 3.81 Favored Glycine 0 N--CA 1.427 -1.921 0 CA-C-N 115.585 -0.734 . . . . 2.29 112.865 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -103.03 -175.79 2.9 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 112.014 0.376 . . . . 5.38 112.014 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m 63.33 61.09 1.08 Allowed 'General case' 0 C--O 1.248 0.985 0 C-N-CA 124.948 1.299 . . . . 6.11 108.963 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.2 t70 72.58 -36.4 0.36 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 126.643 1.977 . . . . 5.17 111.802 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.453 ' HA3' HG13 ' A' ' 15' ' ' VAL . . . 107.73 -83.8 0.35 Allowed Glycine 0 N--CA 1.406 -3.327 0 N-CA-C 109.412 -1.475 . . . . 3.06 109.412 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.3 m -157.88 136.26 11.07 Favored 'General case' 0 C--N 1.284 -2.256 0 N-CA-C 106.269 -1.752 . . . . 2.78 106.269 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.7 103.18 0.66 Allowed 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 106.684 -1.598 . . . . 2.9 106.684 172.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.437 HD21 HD23 ' A' ' 14' ' ' LEU . 7.6 tp -140.93 39.35 1.8 Allowed 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.614 -0.721 . . . . 1.38 109.247 -167.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.5 m -101.29 149.37 24.09 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.482 -0.781 . . . . 1.8 110.651 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.04 -140.25 21.31 Favored Glycine 0 C--O 1.239 0.442 0 N-CA-C 110.949 -0.86 . . . . 1.82 110.949 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -98.91 105.43 17.57 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 107.487 -1.301 . . . . 2.57 107.487 176.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.462 ' HE1' HD22 ' A' ' 10' ' ' LEU . 52.7 p90 -106.94 12.05 29.2 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 116.265 -0.425 . . . . 0.73 110.071 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.633 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 2.5 mm? -75.63 -27.69 58.51 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.657 -0.417 . . . . 1.26 111.849 -172.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -100.03 3.41 44.13 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 120.021 -0.672 . . . . 2.24 109.984 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -85.59 114.62 22.74 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 107.331 -1.359 . . . . 1.73 107.331 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -65.57 149.29 50.31 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.263 -0.426 . . . . 3.1 111.607 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 69.2 m-85 -67.04 -28.0 67.86 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.221 -0.445 . . . . 0.43 110.897 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.25 -37.64 64.88 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 124.422 1.089 . . . . 2.48 110.163 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.24 -39.49 68.43 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.817 -0.629 . . . . 2.01 110.081 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.414 HD11 ' HD1' ' A' ' 35' ' ' PHE . 29.2 pt -93.46 18.44 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.637 0.606 . . . . 0.65 112.637 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.6 40.17 96.03 Favored Glycine 0 C--O 1.225 -0.432 0 CA-C-N 115.42 -0.809 . . . . 0.55 113.909 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -101.93 169.45 8.76 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-N 117.192 0.496 . . . . 1.1 112.312 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.624 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.8 p-10 -139.77 171.99 13.43 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.645 -0.707 . . . . 1.89 109.578 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -65.51 -40.65 93.26 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 124.083 0.953 . . . . 0.88 111.771 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.01 -33.7 72.36 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 120.955 0.407 . . . . 1.7 110.639 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.79 -31.9 72.1 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.451 0.643 . . . . 0.46 110.18 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 69.3 mt -74.02 -42.53 60.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.75 -0.659 . . . . 0.31 109.639 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 73.4 mtp -58.17 -45.73 86.95 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.16 -0.927 . . . . 1.7 109.966 177.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -57.1 -50.07 73.94 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.83 -0.623 . . . . 1.92 109.619 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.5 m -56.34 -52.32 64.99 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 123.924 0.89 . . . . 0.43 111.35 178.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.457 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -59.36 -45.58 91.01 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.037 0.21 . . . . 0.29 111.113 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.568 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -62.17 -32.78 73.44 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.345 0.593 . . . . 0.38 111.656 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -70.09 -34.54 73.28 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 124.346 1.058 . . . . 2.54 110.694 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.51 -36.41 63.21 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.002 -0.545 . . . . 0.4 110.701 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.568 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 45.4 mt-10 -51.13 -56.78 10.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.466 0.706 . . . . 0.64 112.003 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -58.18 -29.11 65.38 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.19 0.811 . . . . 1.33 113.19 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -87.98 -35.9 17.36 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 120.462 -0.495 . . . . 3.79 111.91 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -102.82 -18.13 15.25 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 115.71 1.745 . . . . 1.17 115.71 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.99 60.91 1.98 Allowed Glycine 0 C--N 1.309 -0.968 0 C-N-CA 119.768 -1.206 . . . . 0.91 111.03 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.456 ' HB ' HD21 ' A' ' 82' ' ' LEU . 7.1 p -143.18 150.09 17.94 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.892 0 N-CA-C 106.792 -1.558 . . . . 1.17 106.792 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.559 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 50.3 m -129.98 115.55 17.31 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 118.131 0.423 . . . . 1.6 110.154 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 70.8 mt -120.6 127.54 26.23 Favored Pre-proline 0 C--N 1.306 -1.316 0 CA-C-N 116.165 -0.471 . . . . 0.95 109.914 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HB2' HG23 ' A' ' 64' ' ' VAL . 34.3 Cg_exo -59.6 140.95 96.23 Favored 'Trans proline' 0 C--O 1.245 0.861 0 C-N-CA 122.525 2.15 . . . . 0.69 111.322 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.3 -41.51 72.44 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.483 1.113 . . . . 2.19 111.857 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.5 -34.91 69.56 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.729 -0.669 . . . . 2.48 111.674 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 61' ' ' PRO . 49.1 t -67.23 -52.34 43.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 123.321 0.648 . . . . 0.56 110.281 -177.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.15 69.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.626 -0.715 . . . . 0.51 111.246 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.33 3.7 83.84 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.791 -0.719 . . . . 0.97 113.268 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -109.02 -3.41 17.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.81 0.671 . . . . 3.52 112.81 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.505 HG23 HD13 ' A' ' 45' ' ' LEU . 27.2 m -85.43 125.52 40.46 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 C-N-CA 119.769 -0.772 . . . . 0.5 111.752 -177.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -93.54 -27.54 16.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.58 0.705 . . . . 1.88 110.018 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.2 p -127.72 147.08 61.22 Favored Pre-proline 0 C--N 1.31 -1.142 0 CA-C-N 115.582 -0.736 . . . . 0.43 110.915 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.633 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 46.0 Cg_exo -59.39 -21.25 60.18 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 123.475 2.783 . . . . 0.34 112.479 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 31' ' ' LEU . 23.2 tpp180 -55.11 -43.05 73.72 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 123.938 0.895 . . . . 2.05 108.669 175.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 29.5 mt-10 -73.38 -45.08 56.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.879 -1.055 . . . . 2.23 109.921 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.06 -45.99 86.14 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.484 0.714 . . . . 1.17 109.4 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.37 -46.11 90.14 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 115.504 -0.771 . . . . 0.6 110.061 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.52 -38.03 88.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.145 -0.934 . . . . 0.89 111.891 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 91.0 mt -53.61 -47.64 70.04 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.173 0.511 . . . . 1.06 110.33 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.409 HG21 ' HG ' ' A' ' 5' ' ' LEU . 43.9 mm -67.48 -55.49 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.934 -1.03 . . . . 0.62 109.224 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.718 ' HA ' HD22 ' A' ' 4' ' ' LEU . 15.1 m120 -49.67 -55.32 14.18 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.678 0.791 . . . . 1.45 111.508 -178.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.91 -48.95 83.56 Favored Glycine 0 N--CA 1.437 -1.27 0 O-C-N 124.062 0.851 . . . . 0.48 112.741 -177.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.02 81.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.704 0.252 . . . . 0.56 111.658 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD21 ' HB ' ' A' ' 58' ' ' VAL . 70.8 mt -64.96 -45.92 83.69 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 112.196 0.443 . . . . 0.72 112.196 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.59 -18.36 63.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.785 0.326 . . . . 0.93 111.582 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -91.05 -58.44 2.47 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.225 0.536 . . . . 2.7 109.995 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.25 -33.45 37.92 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 113.407 0.892 . . . . 2.73 113.407 -172.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.382 0 C-N-CA 120.065 -0.654 . . . . 5.02 110.338 -176.133 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 120.624 0.249 . . . . 5.31 110.561 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 82' ' ' LEU . . . -139.03 102.86 4.64 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-O 121.153 0.501 . . . . 1.46 111.567 -175.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p -108.55 106.6 16.75 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.59 -1.263 . . . . 1.7 107.59 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' HA ' ' CD1' ' A' ' 82' ' ' LEU 0.293 2.4 pp -64.8 137.57 57.86 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 114.519 1.303 . . . . 1.02 114.519 -177.456 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.408 HD11 ' HB ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -69.57 153.36 43.59 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.438 -1.256 . . . . 1.37 112.092 -175.084 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.1 p -91.11 -177.88 5.02 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 116.454 -0.339 . . . . 0.88 111.303 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 m -67.27 -38.67 85.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.819 -1.178 . . . . 0.7 107.819 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 35.9 t70 -66.21 -40.9 90.68 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.851 -1.068 . . . . 2.29 110.928 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -61.84 -40.79 96.54 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.753 0.311 . . . . 1.83 110.183 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.622 HD22 ' HB2' ' A' ' 75' ' ' LEU . 59.1 tp -59.02 -46.11 89.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.124 -0.943 . . . . 0.75 109.135 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.623 ' HG3' ' HB3' ' A' ' 26' ' ' LEU . 18.7 ttp180 -55.9 -51.85 66.17 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 123.806 0.691 . . . . 2.88 110.45 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 49.6 mtt180 -57.56 -52.27 66.1 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.001 0.429 . . . . 3.46 111.379 -177.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -28.23 69.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.767 -0.651 . . . . 0.63 112.048 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD23 HD21 ' A' ' 26' ' ' LEU . 18.4 tp -82.97 -40.28 20.25 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.967 -0.56 . . . . 0.62 109.892 -178.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 11' ' ' ARG . 93.1 t -65.02 -35.62 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.486 -0.324 . . . . 0.74 110.365 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 41.6 mm-40 -59.86 -35.82 75.57 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.537 0.208 . . . . 2.04 110.92 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m -70.83 -33.56 70.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.114 -0.493 . . . . 1.3 110.039 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.38 -48.2 70.91 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.826 -0.805 . . . . 1.93 108.826 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.5 24.74 58.25 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.782 -0.645 . . . . 2.29 112.68 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -128.34 146.84 50.65 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.385 -0.969 . . . . 5.38 108.385 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -90.22 80.28 6.27 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-O 122.007 0.908 . . . . 6.11 109.26 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -150.17 153.11 35.74 Favored 'General case' 0 C--N 1.278 -2.538 0 N-CA-C 106.969 -1.493 . . . . 5.17 106.969 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.54 -12.19 58.57 Favored Glycine 0 C--N 1.313 -0.736 0 C-N-CA 120.239 -0.982 . . . . 3.06 112.67 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.431 ' HB ' HD13 ' A' ' 26' ' ' LEU . 1.2 m 54.6 -147.31 0.52 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 108.275 -1.009 . . . . 2.78 108.275 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -100.91 16.47 25.11 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.565 -0.902 . . . . 2.9 108.565 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.738 HD21 HD23 ' A' ' 14' ' ' LEU . 10.0 mp -78.25 -17.89 56.08 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.827 -1.078 . . . . 1.38 111.696 -178.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.2 m -74.47 104.04 5.04 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 109.586 -0.524 . . . . 1.8 109.586 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 120.16 -107.06 1.26 Allowed Glycine 0 N--CA 1.432 -1.59 0 N-CA-C 109.753 -1.339 . . . . 1.82 109.753 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -132.19 134.52 45.46 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 109.348 -0.612 . . . . 2.57 109.348 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.682 ' HA ' HD13 ' A' ' 33' ' ' LEU . 21.7 p90 -147.25 19.45 1.22 Allowed 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 120.96 0.41 . . . . 0.73 110.623 -174.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.685 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 7.1 mp -61.67 -35.59 78.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 115.913 1.82 . . . . 1.26 115.913 -171.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.51 6.42 45.88 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.505 0.928 . . . . 2.24 113.505 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.682 HD13 ' HA ' ' A' ' 30' ' ' PHE . 8.7 mp -78.17 106.28 9.96 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.984 -0.747 . . . . 1.73 108.984 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -56.7 134.6 54.9 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 111.974 0.361 . . . . 3.1 111.974 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.438 ' HA ' HG12 ' A' ' 38' ' ' ILE . 59.1 m-85 -60.78 -31.17 70.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.59 -0.732 . . . . 0.43 110.743 178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.04 -51.72 68.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.454 -0.794 . . . . 2.48 110.046 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.39 -37.13 71.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.438 -0.801 . . . . 2.01 111.783 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.438 HG12 ' HA ' ' A' ' 35' ' ' PHE . 33.0 pt -83.88 16.43 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.846 0.684 . . . . 0.65 112.846 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.87 32.8 85.38 Favored Glycine 0 C--O 1.247 0.924 0 N-CA-C 114.907 0.723 . . . . 0.55 114.907 174.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CZ ' ' HG ' ' A' ' 14' ' ' LEU . 1.4 m-85 -93.36 139.68 30.4 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.376 0.608 . . . . 1.1 111.914 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.637 ' HA ' H312 ' A' ' 87' ' ' PNS . 18.1 m-20 -87.05 145.51 26.45 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 107.256 -1.387 . . . . 1.89 107.256 177.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.522 ' O ' ' HG3' ' A' ' 46' ' ' MET . 48.9 m -70.79 -28.6 64.78 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 120.347 -0.541 . . . . 0.88 110.108 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.27 -24.6 65.8 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.585 -0.446 . . . . 1.7 111.218 173.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.81 -34.79 62.43 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.711 -0.848 . . . . 0.46 108.711 175.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' O ' ' HB ' ' A' ' 48' ' ' THR . 65.9 mt -65.16 -40.94 95.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.71 -0.677 . . . . 0.31 109.266 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.522 ' HG3' ' O ' ' A' ' 42' ' ' SER . 61.8 mtt -59.81 -46.06 90.41 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 114.754 -1.112 . . . . 1.7 110.166 178.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.41 -38.09 88.3 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.05 0.452 . . . . 1.92 109.967 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 91.1 m -58.08 -59.5 5.19 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.297 -0.865 . . . . 0.43 110.053 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.24 83.06 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.391 -0.368 . . . . 0.29 111.168 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.483 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -57.89 -42.79 85.4 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.928 0.491 . . . . 0.38 112.257 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 48' ' ' THR . 5.6 ptp180 -72.71 -25.49 61.25 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.991 -0.684 . . . . 2.54 109.691 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD22 ' HE2' ' A' ' 56' ' ' TYR . 95.5 mt -76.67 -31.28 57.2 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.696 -0.684 . . . . 0.4 110.359 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.483 ' OE2' ' HA ' ' A' ' 50' ' ' ALA . 46.6 mt-10 -55.94 -56.67 17.92 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 123.655 0.597 . . . . 0.64 109.843 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -65.13 -36.05 83.05 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.243 -0.889 . . . . 1.33 111.459 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -71.46 -45.86 61.47 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.363 -0.535 . . . . 3.79 112.137 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.663 ' HB3' HD21 ' A' ' 82' ' ' LEU . 96.9 m-85 -97.13 -20.9 17.66 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 115.044 1.498 . . . . 1.17 115.044 -172.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.14 46.84 2.33 Favored Glycine 0 C--N 1.309 -0.922 0 C-N-CA 119.752 -1.213 . . . . 0.91 112.887 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 23.5 m -128.54 176.2 8.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 O-C-N 122.751 -0.264 . . . . 1.17 111.363 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 p -136.16 111.49 9.12 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 123.906 0.754 . . . . 1.6 109.202 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.615 HD13 ' HG ' ' A' ' 77' ' ' LEU . 69.1 mt -134.83 111.27 11.22 Favored Pre-proline 0 C--N 1.31 -1.139 0 N-CA-C 110.007 -0.368 . . . . 0.95 110.007 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.4 ' HD2' HG21 ' A' ' 64' ' ' VAL . 39.2 Cg_exo -62.62 156.23 53.91 Favored 'Trans proline' 0 C--O 1.25 1.106 0 C-N-CA 123.593 2.862 . . . . 0.69 114.124 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.82 -49.2 68.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.64 1.176 . . . . 2.19 112.16 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.636 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 22.9 t70 -56.06 -43.15 77.65 Favored 'General case' 0 C--O 1.21 -1.007 0 O-C-N 123.464 0.477 . . . . 2.48 111.351 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.4 HG21 ' HD2' ' A' ' 61' ' ' PRO . 44.7 t -61.83 -51.99 66.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 123.526 0.73 . . . . 0.56 110.199 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.28 -21.33 65.13 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.775 -0.648 . . . . 0.51 111.951 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.56 7.57 77.46 Favored Glycine 0 N--CA 1.44 -1.077 0 C-N-CA 120.985 -0.626 . . . . 0.97 112.357 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 17.3 mtm180 -111.04 7.36 21.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 117.221 0.51 . . . . 3.52 111.135 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -87.9 105.12 15.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-O 121.906 0.86 . . . . 0.5 111.098 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -53.5 -50.36 65.56 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 113.933 -1.485 . . . . 1.88 112.362 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 19.9 p -131.83 162.36 56.91 Favored Pre-proline 0 C--N 1.308 -1.22 0 CA-C-N 115.662 -0.699 . . . . 0.43 110.697 -177.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.52 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.4 Cg_exo -56.56 -28.18 73.0 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.456 2.771 . . . . 0.34 113.592 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.685 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 3.7 ptm180 -63.14 -33.55 75.7 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.442 -0.577 . . . . 2.05 109.442 178.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -72.89 -42.96 63.04 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 108.714 -0.847 . . . . 2.23 108.714 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.17 -40.91 97.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.686 -0.857 . . . . 1.17 108.686 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.622 ' HB2' HD22 ' A' ' 10' ' ' LEU . 60.7 tp -60.06 -53.53 56.72 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.64 -0.709 . . . . 0.6 109.767 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.05 -37.02 83.38 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.468 -0.787 . . . . 0.89 111.165 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.615 ' HG ' HD13 ' A' ' 60' ' ' ILE . 56.7 tp -54.63 -49.59 70.15 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.55 0.74 . . . . 1.06 110.54 177.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.583 HD13 HD12 ' A' ' 60' ' ' ILE . 46.7 mm -71.67 -44.82 68.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.8 -0.444 . . . . 0.62 109.8 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.459 HD22 ' HG ' ' A' ' 75' ' ' LEU . 95.3 m-20 -52.49 -53.08 50.61 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 116.261 -0.427 . . . . 1.45 111.202 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.86 -39.08 97.02 Favored Glycine 0 N--CA 1.441 -0.976 0 CA-C-N 115.644 -0.707 . . . . 0.48 113.012 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.76 -37.11 85.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.334 0.588 . . . . 0.56 110.188 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 56' ' ' TYR . 76.4 mt -71.27 -46.18 61.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.738 -0.665 . . . . 0.72 110.919 176.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.18 71.38 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.169 0.509 . . . . 0.93 111.135 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -65.49 -44.58 86.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.432 -0.804 . . . . 2.7 109.974 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.73 -50.22 38.51 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.2 -0.454 . . . . 2.73 111.679 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 C-N-CA 124.737 1.215 . . . . 5.02 112.226 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PNS . . . . . 0.637 H312 ' HA ' ' A' ' 41' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.579 ' HG2' HG23 ' A' ' 3' ' ' THR . 52.0 ttm . . . . . 0 CA--C 1.513 -0.46 0 N-CA-C 109.783 -0.451 . . . . 5.31 109.783 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.51 84.6 5.97 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 121.072 0.463 . . . . 1.46 111.13 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.579 HG23 ' HG2' ' A' ' 1' ' ' MET . 1.8 p -86.24 106.3 17.23 Favored 'General case' 0 N--CA 1.423 -1.785 0 CA-C-N 115.208 -0.906 . . . . 1.7 108.898 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.867 HD22 ' HA ' ' A' ' 79' ' ' ASN . 65.2 mt -89.87 158.18 17.56 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.931 -0.577 . . . . 1.02 109.935 -174.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' HG ' HG21 ' A' ' 78' ' ' ILE . 96.0 mt -72.61 147.87 45.41 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 116.255 -0.43 . . . . 1.37 110.4 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -87.15 -178.45 6.24 Favored 'General case' 0 N--CA 1.418 -2.034 0 N-CA-C 107.951 -1.129 . . . . 0.88 107.951 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.43 HG22 ' HE1' ' A' ' 30' ' ' PHE . 9.3 m -72.35 -37.57 68.8 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 107.864 -1.161 . . . . 0.7 107.864 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -65.22 -45.68 83.7 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.178 -0.919 . . . . 2.29 112.652 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.21 -32.21 71.32 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.476 -0.89 . . . . 1.83 110.09 -177.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.529 HD22 ' HB2' ' A' ' 75' ' ' LEU . 51.5 tp -69.41 -38.42 77.91 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.007 -0.738 . . . . 0.75 109.007 175.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 15' ' ' VAL . 22.8 ttp85 -57.93 -50.51 73.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.544 -0.753 . . . . 2.88 109.281 175.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -60.14 -45.66 92.28 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.056 -0.52 . . . . 3.46 110.555 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.649 ' HB2' HH21 ' A' ' 51' ' ' ARG . . . -51.58 -50.99 59.08 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 124.203 1.001 . . . . 0.63 111.804 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.2 tp -75.54 -27.25 58.6 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 114.683 -1.144 . . . . 0.62 111.986 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 11' ' ' ARG . 94.5 t -72.78 -45.38 56.81 Favored 'Isoleucine or valine' 0 C--O 1.248 0.997 0 N-CA-C 108.444 -0.946 . . . . 0.74 108.444 173.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -61.43 -23.77 66.07 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.468 -0.787 . . . . 2.04 112.02 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 m -68.35 -46.7 69.42 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 120.673 0.273 . . . . 1.3 110.483 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.71 -50.42 57.58 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.157 -0.474 . . . . 1.93 110.009 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.87 -73.25 2.59 Favored Glycine 0 N--CA 1.442 -0.963 0 CA-C-N 115.728 -0.669 . . . . 2.29 114.193 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -108.79 112.84 25.33 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 113.421 0.897 . . . . 5.38 113.421 -172.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.3 m 73.06 107.59 0.07 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 115.353 1.612 . . . . 6.11 115.353 169.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.569 ' CG ' ' H ' ' A' ' 23' ' ' GLY . 13.1 t70 68.28 -164.38 0.2 Allowed 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 113.687 -1.597 . . . . 5.17 113.274 168.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.569 ' H ' ' CG ' ' A' ' 22' ' ' ASP . . . 136.53 -64.63 0.57 Allowed Glycine 0 N--CA 1.417 -2.57 0 N-CA-C 105.766 -2.934 . . . . 3.06 105.766 -172.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t 162.22 -170.61 0.01 OUTLIER 'General case' 0 C--O 1.245 0.834 0 C-N-CA 127.434 2.294 . . . . 2.78 104.948 174.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -89.02 -27.99 20.48 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 107.166 -1.42 . . . . 2.9 107.166 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 tp 61.53 20.55 11.32 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.613 1.565 . . . . 1.38 112.095 171.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -105.32 -23.36 12.87 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.54 -0.864 . . . . 1.8 113.243 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.66 74.17 1.0 Allowed Glycine 0 C--N 1.278 -2.693 0 CA-C-N 115.726 -0.67 . . . . 1.82 112.057 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.9 t70 49.84 91.05 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.401 1.48 . . . . 2.57 111.335 -176.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.523 ' HA ' HD23 ' A' ' 33' ' ' LEU . 34.1 p90 -96.02 2.95 53.73 Favored 'General case' 0 C--N 1.281 -2.381 0 C-N-CA 119.83 -0.748 . . . . 0.73 112.169 -176.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.825 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 1.8 mm? -78.66 -23.42 45.74 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.379 -0.528 . . . . 1.26 111.215 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -83.91 -26.75 29.11 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 120.869 0.366 . . . . 2.24 111.704 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 30' ' ' PHE . 3.5 mm? -69.74 144.5 52.73 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 109.091 -0.707 . . . . 1.73 109.091 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -90.34 158.06 17.32 Favored 'General case' 0 C--N 1.286 -2.157 0 N-CA-C 108.73 -0.841 . . . . 3.1 108.73 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -66.61 -31.38 72.03 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 120.566 -0.453 . . . . 0.43 110.599 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.91 -30.36 70.93 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.825 -0.625 . . . . 2.48 110.522 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.94 -41.95 77.39 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.187 0.518 . . . . 2.01 109.776 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.2 pt -89.82 18.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 113.18 0.807 . . . . 0.65 113.18 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.47 27.32 73.54 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 116.176 -0.466 . . . . 0.55 113.877 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -101.08 121.63 42.15 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 122.467 -0.431 . . . . 1.1 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -90.05 161.64 15.73 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.922 -0.769 . . . . 1.89 108.922 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.54 ' H ' ' P24' ' A' ' 87' ' ' PNS . 16.9 m -54.19 -34.26 60.11 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 124.974 1.31 . . . . 0.88 113.015 -177.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.19 -32.6 72.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.923 0.392 . . . . 1.7 111.385 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.12 -26.73 61.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.102 0.477 . . . . 0.46 110.32 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.28 -30.4 69.41 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.647 -0.706 . . . . 0.31 110.311 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.463 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 78.2 mtp -65.79 -34.57 78.46 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 114.996 -1.002 . . . . 1.7 109.675 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.69 -46.57 75.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.844 -0.798 . . . . 1.92 108.844 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.9 m -56.62 -53.26 59.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.299 -0.864 . . . . 0.43 110.114 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.7 99.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.044 -0.525 . . . . 0.29 112.004 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.7 -33.52 75.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.011 0.375 . . . . 0.38 112.011 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.649 HH21 ' HB2' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -67.62 -24.45 65.47 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.471 -0.936 . . . . 2.54 108.471 178.218 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.2 mt -83.72 -34.93 24.79 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.684 -0.689 . . . . 0.4 110.685 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -56.92 -53.7 55.03 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 116.384 -0.371 . . . . 0.64 110.291 177.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 p -64.77 -31.11 72.19 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.204 -0.907 . . . . 1.33 111.171 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.502 ' HA ' ' HE ' ' A' ' 55' ' ' ARG . 1.5 tpm_? -69.36 -44.24 71.97 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.228 -0.896 . . . . 3.79 112.3 -176.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -110.25 -10.22 14.63 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.22 1.192 . . . . 1.17 114.22 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.3 52.53 4.49 Favored Glycine 0 C--N 1.297 -1.625 0 C-N-CA 119.74 -1.219 . . . . 0.91 110.539 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 p -127.69 173.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 N-CA-C 107.427 -1.323 . . . . 1.17 107.427 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.9 m -133.81 128.23 34.32 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 118.678 0.672 . . . . 1.6 110.795 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.2 mt -127.57 108.21 20.84 Favored Pre-proline 0 C--N 1.306 -1.309 0 N-CA-C 108.62 -0.882 . . . . 0.95 108.62 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.462 ' HD2' HG21 ' A' ' 64' ' ' VAL . 43.8 Cg_exo -58.85 157.53 28.18 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.978 2.452 . . . . 0.69 113.114 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.93 -54.21 38.13 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.972 1.309 . . . . 2.19 112.391 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 17.3 t70 -60.88 -40.05 91.54 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.899 -0.591 . . . . 2.48 111.131 -176.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.462 HG21 ' HD2' ' A' ' 61' ' ' PRO . 60.4 t -60.02 -56.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 124.881 1.272 . . . . 0.56 110.73 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.463 ' HB1' ' HA ' ' A' ' 46' ' ' MET . . . -56.34 -37.41 69.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.677 -0.692 . . . . 0.51 111.795 -177.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.53 23.43 36.21 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.334 -0.936 . . . . 0.97 112.242 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 13.0 tpt180 -100.55 -25.07 14.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.341 0.591 . . . . 3.52 109.695 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 73' ' ' GLU . 36.0 m -73.31 130.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.214 -0.903 . . . . 0.5 112.049 -174.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -88.88 -43.86 10.89 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.513 0.673 . . . . 1.88 110.839 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.7 p -115.96 154.23 48.34 Favored Pre-proline 0 C--N 1.303 -1.448 0 CA-C-N 115.698 -0.683 . . . . 0.43 110.066 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -58.5 -21.87 56.51 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.628 2.885 . . . . 0.34 113.883 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.825 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 13.6 ptp180 -67.0 -32.68 74.07 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-O 121.074 0.464 . . . . 2.05 110.098 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 31.1 mt-10 -72.57 -37.41 68.21 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.756 -0.656 . . . . 2.23 109.385 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.98 -39.69 87.25 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 107.778 -1.193 . . . . 1.17 107.778 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.529 ' HB2' HD22 ' A' ' 10' ' ' LEU . 56.8 tp -63.19 -43.57 97.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.539 -0.755 . . . . 0.6 109.649 176.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.31 -27.33 68.53 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.769 -0.65 . . . . 0.89 111.555 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 82.5 mt -60.73 -46.36 90.71 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.779 -0.823 . . . . 1.06 108.779 175.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.539 HG21 ' HG ' ' A' ' 5' ' ' LEU . 44.4 mm -66.45 -55.63 17.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.738 -1.119 . . . . 0.62 109.33 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.867 ' HA ' HD22 ' A' ' 4' ' ' LEU . 15.3 m120 -51.33 -53.61 34.42 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.903 0.752 . . . . 1.45 110.523 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.21 -49.64 75.76 Favored Glycine 0 N--CA 1.428 -1.878 0 CA-C-N 115.088 -0.96 . . . . 0.48 112.919 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.8 89.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 117.441 0.62 . . . . 0.56 111.459 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.12 -41.99 76.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.437 0.532 . . . . 0.72 112.437 -177.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.39 4.16 28.69 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 112.203 0.446 . . . . 0.93 112.203 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -124.56 -57.0 1.58 Allowed 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.666 -0.243 . . . . 2.7 111.135 -178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -91.71 -12.9 32.7 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 113.704 1.001 . . . . 2.73 113.704 -172.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.272 0 CA-C-O 118.7 -0.667 . . . . 5.02 110.424 -178.361 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PNS . . . . . 0.54 ' P24' ' H ' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 C--O 1.242 0.695 0 CA-C-O 120.72 0.295 . . . . 5.31 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.699 ' HB3' ' HB3' ' A' ' 82' ' ' LEU . . . -95.9 152.96 18.02 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.019 -0.734 . . . . 1.46 109.019 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.1 m -71.69 107.78 4.7 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 123.596 0.56 . . . . 1.7 110.657 -177.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.682 HD22 ' HA ' ' A' ' 79' ' ' ASN . 55.0 mt -66.82 121.9 16.5 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.862 -0.608 . . . . 1.02 109.735 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.41 148.28 43.46 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.041 -0.527 . . . . 1.37 110.435 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 p -91.89 -173.55 3.53 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 112.724 0.638 . . . . 0.88 112.724 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.421 ' CG2' HD21 ' A' ' 31' ' ' LEU . 30.1 m -66.07 -39.27 89.92 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 123.581 0.753 . . . . 0.7 110.047 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 3.7 m-20 -62.58 -39.74 94.68 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.948 -0.569 . . . . 2.29 112.154 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.38 -42.53 68.31 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 119.809 -0.756 . . . . 1.83 110.025 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.714 HD22 ' HB2' ' A' ' 75' ' ' LEU . 50.3 tp -54.67 -45.85 73.95 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 123.945 0.778 . . . . 0.75 109.598 176.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 15' ' ' VAL . 40.6 ttm180 -52.51 -51.4 59.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.274 -0.875 . . . . 2.88 110.789 177.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 76.2 mtm180 -63.37 -45.58 90.46 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.035 0.445 . . . . 3.46 111.061 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.73 64.96 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 0.63 111.811 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.581 HD23 HD21 ' A' ' 26' ' ' LEU . 29.3 tp -78.78 -41.26 30.97 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.808 -0.441 . . . . 0.62 109.808 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 11' ' ' ARG . 90.1 t -57.92 -34.14 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.576 0.351 . . . . 0.74 110.854 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 13.0 mm-40 -60.17 -34.61 73.82 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.048 -0.524 . . . . 2.04 110.832 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m -76.0 -17.37 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.645 0.736 . . . . 1.3 110.697 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.32 28.33 8.84 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 108.066 -1.087 . . . . 1.93 108.066 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.26 65.83 0.74 Allowed Glycine 0 C--N 1.339 0.714 0 CA-C-N 114.96 -1.018 . . . . 2.29 113.52 -177.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -161.46 106.97 1.33 Allowed 'General case' 0 N--CA 1.427 -1.595 0 C-N-CA 124.903 1.281 . . . . 5.38 109.723 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 m 61.89 61.96 1.32 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.526 -1.215 . . . . 6.11 110.926 -177.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 73.3 -58.28 0.6 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.787 1.635 . . . . 5.17 112.407 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.05 -103.82 1.28 Allowed Glycine 0 N--CA 1.41 -3.048 0 N-CA-C 109.862 -1.295 . . . . 3.06 109.862 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -141.41 172.26 12.93 Favored 'General case' 0 C--N 1.282 -2.359 0 C-N-CA 123.619 0.768 . . . . 2.78 109.193 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -76.91 -53.6 7.66 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.683 -1.228 . . . . 2.9 107.683 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.581 HD21 HD23 ' A' ' 14' ' ' LEU . 12.6 tp 58.5 15.03 3.31 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.204 1.402 . . . . 1.38 113.436 168.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.8 p -94.49 1.59 55.73 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.548 0.944 . . . . 1.8 113.548 -174.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.89 -143.59 14.27 Favored Glycine 0 C--N 1.296 -1.641 0 N-CA-C 110.638 -0.985 . . . . 1.82 110.638 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.437 ' O ' HD13 ' A' ' 33' ' ' LEU . 23.4 t70 -95.14 97.03 9.61 Favored 'General case' 0 CA--C 1.484 -1.566 0 N-CA-C 108.078 -1.082 . . . . 2.57 108.078 175.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -98.9 1.0 45.28 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 115.334 -0.848 . . . . 0.73 110.672 -176.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' ' HB ' ' A' ' 70' ' ' THR . 2.9 mm? -72.38 -27.77 62.59 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.407 -0.36 . . . . 1.26 111.748 -174.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -96.49 -12.29 24.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.628 0.728 . . . . 2.24 110.669 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 29' ' ' ASP . 10.1 mp -77.92 137.9 38.59 Favored 'General case' 0 CA--C 1.488 -1.434 0 CA-C-N 115.424 -0.807 . . . . 1.73 110.319 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -83.1 156.82 23.09 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-N 116.069 -0.514 . . . . 3.1 109.991 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.468 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 75.2 m-85 -69.11 -19.7 64.05 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 115.922 -0.581 . . . . 0.43 112.19 -175.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.75 -32.6 74.36 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 123.535 0.522 . . . . 2.48 110.635 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -72.34 -45.83 58.16 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.291 0.567 . . . . 2.01 110.813 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.9 pt -85.87 12.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 CA-C-N 115.508 -0.769 . . . . 0.65 112.84 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.57 41.17 72.73 Favored Glycine 0 N--CA 1.463 0.494 0 CA-C-N 115.556 -0.747 . . . . 0.55 113.546 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -95.72 135.33 37.56 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 112.82 0.674 . . . . 1.1 112.82 -177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.429 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.8 m-20 -85.32 148.93 25.79 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.549 -1.205 . . . . 1.89 108.416 174.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -61.53 -34.1 74.95 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.574 0.702 . . . . 0.88 109.107 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.15 -36.15 83.11 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.066 -0.97 . . . . 1.7 110.671 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.02 80.74 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.46 109.426 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 64.4 mt -63.41 -38.71 92.2 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.692 0.758 . . . . 0.31 109.51 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.0 mtp -63.13 -37.53 87.57 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.669 -1.15 . . . . 1.7 110.916 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.89 -38.86 79.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.791 -0.448 . . . . 1.92 109.791 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.479 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 29.9 m -52.95 -58.07 8.2 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.651 -0.704 . . . . 0.43 109.151 174.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.93 -37.4 86.88 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.801 -0.636 . . . . 0.29 111.225 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -59.51 -43.43 93.38 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.36 0.504 . . . . 0.38 112.36 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.3 ptp180 -70.05 -24.35 63.24 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.536 0.684 . . . . 2.54 109.98 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 48' ' ' THR . 83.9 mt -81.41 -32.94 32.49 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.697 -0.683 . . . . 0.4 109.551 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.484 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 47.0 mt-10 -55.73 -53.83 51.76 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.811 -0.631 . . . . 0.64 109.467 174.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.7 p -71.19 -24.63 62.26 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.176 -0.92 . . . . 1.33 112.66 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -79.99 -26.09 40.06 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.95 -0.3 . . . . 3.79 111.088 -177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -117.37 -10.66 10.68 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.289 1.218 . . . . 1.17 114.289 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.31 45.62 9.79 Favored Glycine 0 C--N 1.303 -1.264 0 C-N-CA 119.684 -1.246 . . . . 0.91 110.292 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 p -128.65 174.13 12.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 106.194 -1.78 . . . . 1.17 106.194 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 t -143.23 146.21 33.45 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-N 119.197 0.908 . . . . 1.6 110.027 177.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.34 114.94 10.68 Favored Pre-proline 0 C--N 1.307 -1.253 0 C-N-CA 123.951 0.9 . . . . 0.95 108.674 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.41 ' HB2' HG23 ' A' ' 64' ' ' VAL . 50.7 Cg_exo -56.39 147.04 70.32 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.914 2.409 . . . . 0.69 111.675 175.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -60.46 -29.68 69.19 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.784 0.434 . . . . 2.19 112.109 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.46 -15.1 62.78 Favored 'General case' 0 C--O 1.201 -1.498 0 N-CA-C 111.918 0.34 . . . . 2.48 111.918 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 61' ' ' PRO . 56.6 t -85.75 -56.5 5.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 109.238 -0.653 . . . . 0.56 109.238 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.55 74.41 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.38 -0.827 . . . . 0.51 111.962 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.25 39.65 2.78 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.548 -0.834 . . . . 0.97 111.071 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -145.53 17.13 1.49 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 122.361 1.077 . . . . 3.52 109.175 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.488 HG21 HD23 ' A' ' 74' ' ' LEU . 31.5 m -102.54 117.43 47.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 CA-C-N 115.353 -0.839 . . . . 0.5 109.74 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -67.44 -47.97 68.63 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 115.566 -0.743 . . . . 1.88 110.364 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 24.3 p -127.25 157.1 73.53 Favored Pre-proline 0 N--CA 1.427 -1.587 0 CA-C-N 115.592 -0.731 . . . . 0.43 110.502 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.468 ' HG3' ' CE1' ' A' ' 35' ' ' PHE . 31.9 Cg_exo -61.34 -16.9 49.97 Favored 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 123.47 2.78 . . . . 0.34 112.721 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.9 -40.04 83.3 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 109.333 -0.618 . . . . 2.05 109.333 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.636 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.9 mp0 -74.09 -38.6 63.84 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.944 -0.571 . . . . 2.23 110.646 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.52 HD22 HD12 ' A' ' 77' ' ' LEU . 1.8 tm? -62.28 -40.56 96.67 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 108.695 -0.854 . . . . 1.17 108.695 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.714 ' HB2' HD22 ' A' ' 10' ' ' LEU . 63.2 tp -65.05 -44.51 88.78 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 115.682 -0.69 . . . . 0.6 109.325 175.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.33 -36.32 81.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.831 -1.077 . . . . 0.89 112.165 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 90.6 mt -54.51 -50.45 67.78 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.402 0.62 . . . . 1.06 109.686 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.92 -52.59 47.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.915 -1.039 . . . . 0.62 110.584 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.682 ' HA ' HD22 ' A' ' 4' ' ' LEU . 12.6 m120 -60.47 -29.92 69.36 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.497 -0.32 . . . . 1.45 111.826 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.21 -54.44 4.75 Favored Glycine 0 N--CA 1.43 -1.709 0 C-N-CA 120.823 -0.703 . . . . 0.48 111.404 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.12 87.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.437 0.532 . . . . 0.56 112.437 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.699 ' HB3' ' HB3' ' A' ' 2' ' ' ALA . 82.5 mt -73.09 -16.82 61.46 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.774 0.657 . . . . 0.72 112.774 -176.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.02 -40.58 7.56 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.043 0.449 . . . . 0.93 111.343 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -84.36 -34.63 23.58 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 116.167 -0.47 . . . . 2.7 112.042 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 59.35 79.6 0.22 Allowed 'General case' 0 C--O 1.245 0.859 0 C-N-CA 123.952 0.901 . . . . 2.73 110.679 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 CA-C-N 115.156 -0.929 . . . . 5.02 109.144 -177.171 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 CA--C 1.505 -0.779 0 N-CA-C 108.773 -0.825 . . . . 5.31 108.773 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.51 171.89 13.44 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.627 -0.879 . . . . 1.46 108.627 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.6 m -74.97 106.86 6.68 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.969 -0.752 . . . . 1.7 108.969 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.9 mt -89.84 133.6 34.64 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.739 -0.837 . . . . 1.02 108.739 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 56' ' ' TYR . 1.1 pp -75.42 147.29 40.07 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 120.136 -0.626 . . . . 1.37 111.75 176.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.1 p -97.82 -170.81 2.05 Favored 'General case' 0 C--N 1.293 -1.866 0 CA-C-N 115.168 -0.924 . . . . 0.88 110.521 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -64.29 -49.31 72.32 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 107.814 -1.18 . . . . 0.7 107.814 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.0 -38.85 92.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.83 -1.077 . . . . 2.29 111.73 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -62.67 -48.11 80.73 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 110.26 -0.274 . . . . 1.83 110.26 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 tp -56.72 -49.46 75.09 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 124.041 0.838 . . . . 0.75 109.816 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.483 ' HG3' HD23 ' A' ' 26' ' ' LEU . 19.5 ttp85 -51.74 -54.59 26.74 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.821 0.7 . . . . 2.88 111.522 178.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -62.44 -35.27 78.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.81 0.67 . . . . 3.46 112.81 -177.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.11 -45.23 58.19 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.391 0.615 . . . . 0.63 110.503 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.621 HD23 HD21 ' A' ' 26' ' ' LEU . 34.1 tp -63.31 -41.45 98.94 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 124.509 1.124 . . . . 0.62 112.228 -175.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.39 -17.46 16.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 122.259 1.028 . . . . 0.74 110.114 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -35.26 31.13 Favored 'General case' 0 N--CA 1.422 -1.837 0 N-CA-C 107.593 -1.262 . . . . 2.04 107.593 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.435 ' OG ' ' HD3' ' A' ' 51' ' ' ARG . 9.3 m -62.78 -45.58 91.99 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.419 0.628 . . . . 1.3 110.048 175.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.32 107.7 4.08 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 108.69 -0.856 . . . . 1.93 108.69 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.28 44.83 1.42 Allowed Glycine 0 C--N 1.286 -2.238 0 N-CA-C 111.272 -0.731 . . . . 2.29 111.272 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -75.74 150.24 37.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.597 0.237 . . . . 5.38 110.781 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.9 p 50.01 67.0 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 124.718 1.207 . . . . 6.11 112.153 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 t70 72.07 -21.66 0.22 Allowed 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 124.947 1.299 . . . . 5.17 112.27 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.69 14.17 61.73 Favored Glycine 0 N--CA 1.438 -1.225 0 N-CA-C 109.596 -1.402 . . . . 3.06 109.596 -175.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.9 p 53.69 -174.28 0.03 OUTLIER 'General case' 0 C--O 1.24 0.603 0 C-N-CA 125.662 1.585 . . . . 2.78 113.46 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.4 -50.43 5.46 Favored 'General case' 0 CA--C 1.486 -1.511 0 N-CA-C 106.033 -1.84 . . . . 2.9 106.033 171.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.621 HD21 HD23 ' A' ' 14' ' ' LEU . 15.3 tp 56.55 21.56 5.81 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.541 1.537 . . . . 1.38 110.439 176.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 m -103.85 99.82 9.6 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 115.65 -0.705 . . . . 1.8 110.155 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.04 -150.61 22.28 Favored Glycine 0 N--CA 1.421 -2.359 0 N-CA-C 108.686 -1.766 . . . . 1.82 108.686 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -88.22 97.38 10.98 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 122.311 1.053 . . . . 2.57 108.202 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 49.4 p90 -110.72 8.21 22.47 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 114.956 -1.02 . . . . 0.73 110.174 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.682 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 2.6 mm? -68.35 -27.84 66.61 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.092 -0.504 . . . . 1.26 111.541 -173.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -97.25 -4.31 39.09 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.189 -0.46 . . . . 2.24 110.909 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.5 tp -81.52 106.08 13.19 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.588 -0.893 . . . . 1.73 108.588 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.406 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 64.7 mtp180 -60.85 141.76 56.81 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.337 -0.847 . . . . 3.1 111.293 -176.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.486 ' HB3' ' HB2' ' A' ' 40' ' ' TYR . 56.0 m-85 -64.5 -31.27 72.41 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.087 -0.96 . . . . 0.43 111.427 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -54.93 -44.62 74.41 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.361 0.665 . . . . 2.48 110.354 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 36.2 m-20 -69.47 -26.55 64.63 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.26 -0.427 . . . . 2.01 111.894 -176.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.8 pt -106.49 19.62 5.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 113.431 0.9 . . . . 0.65 113.431 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.43 42.34 99.08 Favored Glycine 0 C--N 1.319 -0.407 0 CA-C-N 115.746 -0.661 . . . . 0.55 114.273 176.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.486 ' HB2' ' HB3' ' A' ' 35' ' ' PHE . 6.7 m-85 -106.67 109.43 21.33 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 122.398 -0.472 . . . . 1.1 110.829 177.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.732 ' HA ' H421 ' A' ' 87' ' ' PNS . 4.8 m-20 -79.47 164.67 23.76 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.853 -1.165 . . . . 1.89 107.853 176.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.59 ' HB2' H282 ' A' ' 87' ' ' PNS . 59.4 m -52.26 -35.33 49.63 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.357 0.411 . . . . 0.88 111.059 175.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.11 -40.91 71.01 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.544 0.738 . . . . 1.7 111.369 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.91 -32.43 57.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.498 0.666 . . . . 0.46 110.737 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 mt -75.47 -42.91 51.92 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.869 -0.605 . . . . 0.31 110.434 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.3 mtt -64.27 -36.75 85.12 Favored 'General case' 0 CA--C 1.5 -0.962 0 CA-C-N 115.71 -0.677 . . . . 1.7 109.782 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 8.0 tp10 -58.66 -50.56 73.41 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.89 -0.781 . . . . 1.92 108.89 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.546 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 91.7 m -55.64 -51.2 68.01 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 114.5 -1.227 . . . . 0.43 110.54 177.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -59.57 -46.03 90.12 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 121.087 -0.245 . . . . 0.29 110.908 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -57.58 -48.66 78.75 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.469 0.708 . . . . 0.38 112.702 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 11.2 ptm180 -64.45 -30.99 72.02 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.198 0.523 . . . . 2.54 111.273 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 48' ' ' THR . 95.3 mt -75.97 -35.78 59.51 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.356 -0.383 . . . . 0.4 110.412 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 47.5 mt-10 -55.27 -48.54 73.88 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.577 0.548 . . . . 0.64 109.675 176.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.1 m -61.68 -34.36 75.61 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.93 -1.032 . . . . 1.33 113.336 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.473 ' HD2' ' CE2' ' A' ' 56' ' ' TYR . 36.5 ttm180 -87.03 -42.73 12.86 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.954 0.407 . . . . 3.79 111.885 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.499 ' CE2' HD23 ' A' ' 5' ' ' LEU . 99.3 m-85 -96.14 -18.43 20.13 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 114.452 1.279 . . . . 1.17 114.452 -170.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.81 62.31 2.15 Favored Glycine 0 C--N 1.309 -0.968 0 C-N-CA 119.716 -1.231 . . . . 0.91 110.722 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.507 ' CG1' ' HA ' ' A' ' 53' ' ' GLU . 7.1 p -136.87 151.93 28.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 108.017 -1.105 . . . . 1.17 108.017 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.2 m -116.25 116.81 28.45 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.472 -0.566 . . . . 1.6 109.472 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.502 HD11 HD13 ' A' ' 78' ' ' ILE . 63.2 mt -122.43 109.35 32.97 Favored Pre-proline 0 C--N 1.311 -1.1 0 CA-C-O 120.803 0.335 . . . . 0.95 110.33 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.96 157.37 53.2 Favored 'Trans proline' 0 C--O 1.255 1.345 0 C-N-CA 123.301 2.667 . . . . 0.69 113.6 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -49.86 -59.01 4.25 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.148 1.779 . . . . 2.19 112.995 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 24.5 t70 -53.68 -42.65 68.16 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.005 0.522 . . . . 2.48 111.315 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.44 -59.49 4.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 114.424 -1.262 . . . . 0.56 110.995 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.29 -16.16 61.6 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.772 0.656 . . . . 0.51 112.772 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.23 4.46 44.59 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.229 -0.986 . . . . 0.97 111.757 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 42.5 ttp180 -104.42 -13.81 15.95 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.284 0.564 . . . . 3.52 110.044 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.553 HG11 HD11 ' A' ' 77' ' ' LEU . 31.1 m -72.97 105.41 2.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-O 121.82 0.819 . . . . 0.5 111.786 -177.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.18 -40.91 67.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.506 -0.77 . . . . 1.88 112.383 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 25.5 p -122.56 158.04 57.54 Favored Pre-proline 0 C--N 1.303 -1.424 0 CA-C-N 116.267 -0.424 . . . . 0.43 110.986 -177.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.682 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.8 Cg_exo -57.87 -18.68 35.83 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 123.167 2.578 . . . . 0.34 112.138 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 31' ' ' LEU . 37.4 mmt180 -50.68 -53.96 26.92 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 108.603 -0.888 . . . . 2.05 108.603 172.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.57 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 6.1 mm-40 -66.35 -49.27 67.49 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 113.563 -1.653 . . . . 2.23 110.735 -175.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.44 -42.72 96.7 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.917 -0.583 . . . . 1.17 109.99 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.2 tp -65.95 -44.2 85.69 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 108.927 -0.768 . . . . 0.6 108.927 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -59.06 -41.15 87.23 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 114.502 -1.226 . . . . 0.89 111.295 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 77.5 mt -52.61 -55.06 25.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.437 0.695 . . . . 1.06 110.576 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.502 HD13 HD11 ' A' ' 60' ' ' ILE . 36.6 mm -65.07 -60.56 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-N 114.588 -1.187 . . . . 0.62 110.137 -177.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -50.14 -52.99 30.64 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.712 0.633 . . . . 1.45 112.443 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.27 99.35 Favored Glycine 0 C--O 1.239 0.461 0 O-C-N 123.49 0.494 . . . . 0.48 113.565 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.42 -34.62 67.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.811 0.339 . . . . 0.56 111.296 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 56' ' ' TYR . 79.2 mt -73.36 -21.97 60.4 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.723 0.297 . . . . 0.72 111.328 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.58 1.43 46.03 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 120.807 0.337 . . . . 0.93 110.976 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -132.77 -46.36 0.87 Allowed 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 113.102 0.779 . . . . 2.7 113.102 -177.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.06 21.15 15.29 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.988 0.423 . . . . 2.73 111.748 -175.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.268 0 N-CA-C 109.918 -0.401 . . . . 5.02 109.918 -179.146 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PNS . . . . . 0.732 H421 ' HA ' ' A' ' 41' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 CA--C 1.503 -0.828 0 N-CA-C 108.437 -0.949 . . . . 5.31 108.437 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.12 121.01 43.65 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.329 -0.989 . . . . 1.46 108.329 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 t -73.64 106.55 5.45 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-O 122.455 1.122 . . . . 1.7 109.047 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 79' ' ' ASN . 89.1 mt -101.2 132.6 46.62 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.992 -1.004 . . . . 1.02 108.873 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 1.9 pt? -75.37 139.79 42.6 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.149 -0.478 . . . . 1.37 110.367 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.9 p -101.89 -169.33 1.66 Allowed 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.591 -0.731 . . . . 0.88 109.213 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.583 HG23 HD21 ' A' ' 31' ' ' LEU . 28.0 m -55.24 -54.45 43.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.029 0.532 . . . . 0.7 111.213 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 24.3 t70 -63.32 -38.13 89.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.984 0.365 . . . . 2.29 111.984 -177.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 26.6 m-20 -60.64 -47.07 87.87 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 108.906 -0.775 . . . . 1.83 108.906 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.404 HD22 ' HB2' ' A' ' 75' ' ' LEU . 62.1 tp -63.15 -42.1 99.39 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.163 -0.926 . . . . 0.75 110.223 178.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.2 ttp85 -53.4 -52.92 57.77 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 123.51 0.506 . . . . 2.88 110.676 178.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 68.3 mtt180 -57.23 -48.87 77.74 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 123.685 0.616 . . . . 3.46 110.641 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.65 -31.17 70.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.833 -0.622 . . . . 0.63 112.466 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.682 ' HG ' HD21 ' A' ' 26' ' ' LEU . 58.2 tp -81.94 -34.19 29.95 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.447 -0.342 . . . . 0.62 111.367 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.497 HG22 HD23 ' A' ' 26' ' ' LEU . 50.5 t -75.34 -23.73 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.825 -0.806 . . . . 0.74 108.825 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.97 -36.7 77.68 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.142 -0.935 . . . . 2.04 110.027 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.44 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 13.8 m -79.31 -10.18 59.75 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 120.871 0.367 . . . . 1.3 111.328 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.2 -30.36 11.96 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.43 0.633 . . . . 1.93 109.586 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.06 -160.09 40.22 Favored Glycine 0 N--CA 1.429 -1.77 0 N-CA-C 110.603 -0.999 . . . . 2.29 110.603 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -92.41 73.2 5.24 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.945 0.878 . . . . 5.38 109.602 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 p -123.36 -140.29 0.31 Allowed 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 106.562 -1.644 . . . . 6.11 106.562 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.23 -62.54 1.63 Allowed 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 107.592 -1.262 . . . . 5.17 107.592 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.48 1.84 89.05 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 110.535 -1.026 . . . . 3.06 110.535 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.434 HG21 HG22 ' A' ' 38' ' ' ILE . 11.0 m 60.39 38.84 19.23 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.042 0.937 . . . . 2.78 109.204 -176.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 68.53 -66.07 0.25 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.083 1.353 . . . . 2.9 110.252 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.682 HD21 ' HG ' ' A' ' 14' ' ' LEU . 12.2 tp 62.03 30.28 17.89 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 125.377 1.471 . . . . 1.38 110.316 173.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.0 m -114.16 163.23 15.5 Favored 'General case' 0 N--CA 1.426 -1.645 0 CA-C-N 114.85 -1.068 . . . . 1.8 109.151 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.35 -136.36 21.13 Favored Glycine 0 N--CA 1.434 -1.472 0 N-CA-C 108.848 -1.701 . . . . 1.82 108.848 -175.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -97.85 122.66 41.23 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.092 -1.077 . . . . 2.57 108.092 174.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.52 ' HA ' HD23 ' A' ' 33' ' ' LEU . 43.4 p90 -125.34 14.53 8.3 Favored 'General case' 0 C--N 1.278 -2.542 0 CA-C-N 115.964 -0.562 . . . . 0.73 109.697 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.642 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.0 mm? -78.92 -23.59 44.62 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.216 -0.447 . . . . 1.26 112.176 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -93.79 3.65 55.11 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.686 0.625 . . . . 2.24 112.686 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 30' ' ' PHE . 3.2 mm? -99.8 149.84 22.95 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 109.512 -0.551 . . . . 1.73 109.512 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -89.02 146.45 24.85 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.443 0.639 . . . . 3.1 112.326 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.665 ' HA ' HG12 ' A' ' 38' ' ' ILE . 62.6 m-85 -64.1 -32.17 73.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.127 -0.942 . . . . 0.43 112.633 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -23.55 63.95 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 112.525 0.565 . . . . 2.48 112.525 -178.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -87.78 -25.91 23.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.127 0.489 . . . . 2.01 110.619 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.665 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -90.09 18.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 112.453 0.538 . . . . 0.65 112.453 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.23 32.41 65.47 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.55 113.964 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 1.4 m-85 -110.76 138.55 47.02 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 113.491 0.922 . . . . 1.1 113.491 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 32.0 m-20 -94.5 166.19 12.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 115.29 -0.868 . . . . 1.89 109.66 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.419 ' H ' ' P24' ' A' ' 87' ' ' PNS . 3.6 m -66.55 -41.54 88.5 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.99 0.9 . . . . 0.88 108.685 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.52 -31.31 72.31 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.337 -1.301 . . . . 1.7 110.08 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.2 -23.83 54.65 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.619 -0.719 . . . . 0.46 110.333 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 40.2 mt -74.78 -39.36 61.8 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 108.851 -0.796 . . . . 0.31 108.851 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.6 mtt -63.2 -42.34 99.29 Favored 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 114.842 -1.072 . . . . 1.7 108.324 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -58.64 -44.46 90.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.595 0.758 . . . . 1.92 110.301 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.481 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 96.0 m -61.74 -52.46 64.17 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.406 -0.815 . . . . 0.43 109.984 177.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.46 -36.32 77.97 Favored 'General case' 0 C--O 1.203 -1.344 0 CA-C-N 116.163 -0.471 . . . . 0.29 110.984 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.16 76.06 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.642 0.777 . . . . 0.38 112.679 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.5 ptp180 -70.19 -33.62 71.95 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 119.686 -0.806 . . . . 2.54 109.255 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.3 -40.52 74.21 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.395 -0.821 . . . . 0.4 109.961 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.581 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.2 mt-10 -59.29 -46.66 87.95 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 123.119 0.568 . . . . 0.64 109.981 176.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 m -63.14 -48.53 78.08 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.015 0.822 . . . . 1.33 110.966 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -68.36 -53.74 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.502 0.556 . . . . 3.79 112.502 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -83.7 -15.78 47.45 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.492 0.923 . . . . 1.17 113.492 -172.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.19 63.31 2.18 Favored Glycine 0 C--O 1.243 0.712 0 C-N-CA 120.654 -0.784 . . . . 0.91 111.305 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 53' ' ' GLU . 14.3 p -141.67 169.04 14.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 108.98 -0.748 . . . . 1.17 108.98 -177.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -134.62 121.83 21.44 Favored 'General case' 0 C--O 1.248 0.994 0 N-CA-C 109.095 -0.706 . . . . 1.6 109.095 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.545 HD11 HD13 ' A' ' 78' ' ' ILE . 64.2 mt -125.32 124.49 25.18 Favored Pre-proline 0 C--N 1.316 -0.881 0 N-CA-C 109.82 -0.437 . . . . 0.95 109.82 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.469 ' HB2' HG23 ' A' ' 64' ' ' VAL . 45.7 Cg_exo -59.33 142.73 99.5 Favored 'Trans proline' 0 C--O 1.253 1.233 0 C-N-CA 122.891 2.394 . . . . 0.69 111.43 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -57.94 -46.66 84.71 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 115.663 -0.699 . . . . 2.19 111.467 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -53.93 -43.13 69.51 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.511 0.507 . . . . 2.48 111.334 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.469 HG23 ' HB2' ' A' ' 61' ' ' PRO . 58.1 t -62.19 -55.98 20.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 114.97 -1.014 . . . . 0.56 109.799 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.414 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -59.34 -31.26 69.02 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 115.856 -0.611 . . . . 0.51 111.793 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.91 -1.68 88.77 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.519 -0.848 . . . . 0.97 113.054 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -118.2 14.83 14.0 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.993 0.738 . . . . 3.52 112.993 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 74' ' ' LEU . 17.4 m -89.05 105.51 15.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 108.685 -0.857 . . . . 0.5 108.685 174.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.78 -51.22 70.47 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.262 -0.881 . . . . 1.88 111.123 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -114.51 152.44 46.16 Favored Pre-proline 0 C--N 1.312 -1.044 0 CA-C-N 115.469 -0.787 . . . . 0.43 110.931 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 33' ' ' LEU . 42.1 Cg_exo -60.14 -23.68 74.46 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 123.641 2.894 . . . . 0.34 113.311 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.642 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.8 ttm180 -62.27 -37.43 85.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.199 0.523 . . . . 2.05 110.434 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.517 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 35.7 mt-10 -69.19 -39.55 78.61 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.284 -0.871 . . . . 2.23 110.019 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.498 HD22 HD12 ' A' ' 77' ' ' LEU . 3.0 tm? -68.19 -38.94 82.53 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.829 -0.804 . . . . 1.17 108.829 178.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' HB2' HD22 ' A' ' 10' ' ' LEU . 53.4 tp -57.94 -50.51 73.11 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 123.788 0.835 . . . . 0.6 109.387 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -59.52 -35.11 73.54 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 115.166 -0.924 . . . . 0.89 113.014 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 86.8 mt -57.34 -43.6 83.58 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.404 0.44 . . . . 1.06 110.741 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.545 HD13 HD11 ' A' ' 60' ' ' ILE . 36.0 mm -72.71 -57.13 7.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.49 -0.93 . . . . 0.62 108.49 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.453 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.0 m120 -47.5 -54.57 11.19 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.777 0.831 . . . . 1.45 112.355 -178.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.99 -47.12 86.14 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.932 -0.576 . . . . 0.48 113.441 -176.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.54 73.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.962 0.381 . . . . 0.56 111.803 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.13 -43.98 63.87 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 121.01 -0.276 . . . . 0.72 110.48 177.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.24 77.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.999 -0.546 . . . . 0.93 111.26 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.57 -16.22 62.3 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 121.34 0.59 . . . . 2.7 110.592 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.48 11.64 32.32 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.077 0.465 . . . . 2.73 110.408 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-N 116.139 -0.482 . . . . 5.02 110.226 -179.214 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PNS . . . . . 0.539 H281 ' H36' ' A' ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 mtm . . . . . 0 CA--C 1.504 -0.8 0 N-CA-C 108.205 -1.035 . . . . 5.31 108.205 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.66 171.52 14.23 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 109.251 -0.648 . . . . 1.46 109.251 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.472 HG23 ' HD1' ' A' ' 56' ' ' TYR . 6.0 t -135.47 106.63 6.73 Favored 'General case' 0 N--CA 1.42 -1.926 0 N-CA-C 107.233 -1.395 . . . . 1.7 107.233 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.3 mt -74.44 129.79 38.42 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.169 -0.923 . . . . 1.02 110.64 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.493 HD23 ' CE2' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -71.05 147.41 48.56 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.835 -0.621 . . . . 1.37 111.301 176.132 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -102.89 -170.2 1.76 Allowed 'General case' 0 N--CA 1.411 -2.394 0 CA-C-N 115.182 -0.917 . . . . 0.88 110.843 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.635 HG23 HD21 ' A' ' 31' ' ' LEU . 26.9 m -65.46 -48.33 73.05 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 123.943 0.897 . . . . 0.7 109.356 -177.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.76 -30.89 71.79 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.003 -0.544 . . . . 2.29 111.152 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -66.81 -50.09 63.73 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 116.502 -0.317 . . . . 1.83 110.468 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 75' ' ' LEU . 48.1 tp -64.49 -36.17 83.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.01 -0.541 . . . . 0.75 110.144 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.532 ' O ' HG23 ' A' ' 15' ' ' VAL . 59.0 ttt180 -55.79 -57.2 13.01 Favored 'General case' 0 CA--C 1.517 -0.289 0 O-C-N 123.678 0.611 . . . . 2.88 109.542 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -60.15 -41.73 93.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.512 -0.767 . . . . 3.46 111.673 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.55 -28.79 68.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.264 -0.426 . . . . 0.63 112.145 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.594 HD23 HD21 ' A' ' 26' ' ' LEU . 34.5 tp -85.6 -23.65 27.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.521 0.677 . . . . 0.62 110.474 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 11' ' ' ARG . 57.9 t -77.51 -28.18 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.354 -0.98 . . . . 0.74 108.354 173.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.68 -39.24 90.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.753 -1.112 . . . . 2.04 109.759 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.555 ' HB3' HH22 ' A' ' 51' ' ' ARG . 1.8 p -77.3 -21.63 53.24 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.271 0.557 . . . . 1.3 111.812 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.2 -9.19 58.32 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.025 -0.534 . . . . 1.93 110.953 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.94 -60.89 2.32 Favored Glycine 0 N--CA 1.433 -1.553 0 C-N-CA 120.774 -0.726 . . . . 2.29 111.968 176.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -113.58 157.28 22.28 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.034 -0.728 . . . . 5.38 109.034 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.442 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 1.9 m -74.58 55.49 0.65 Allowed 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 125.303 1.441 . . . . 6.11 111.871 -175.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.73 -60.42 2.06 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.96 -0.462 . . . . 5.17 110.303 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.04 63.29 2.09 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 110.276 -1.13 . . . . 3.06 110.276 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 m -43.1 77.17 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 127.895 2.478 . . . . 2.78 113.753 -175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 64.59 16.2 10.15 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.954 0.902 . . . . 2.9 111.274 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.594 HD21 HD23 ' A' ' 14' ' ' LEU . 6.6 mp -79.84 25.73 0.35 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.341 1.056 . . . . 1.38 113.242 -176.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.2 m -79.66 88.12 5.17 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.09 0.472 . . . . 1.8 111.626 -176.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.04 -70.5 2.91 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.886 -0.597 . . . . 1.82 112.518 177.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -87.34 91.74 8.83 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.509 -0.552 . . . . 2.57 109.509 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.462 ' HB3' ' HA ' ' A' ' 26' ' ' LEU . 40.8 p90 -132.09 -2.29 3.6 Favored 'General case' 0 C--O 1.207 -1.142 0 C-N-CA 120.467 -0.493 . . . . 0.73 111.535 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.635 HD21 HG23 ' A' ' 7' ' ' THR . 2.4 mm? -78.2 -26.67 47.63 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.155 -0.683 . . . . 1.26 109.155 -177.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.87 -30.93 45.32 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.182 -1.372 . . . . 2.24 110.124 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.5 mt -71.69 123.73 23.2 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 108.023 -1.103 . . . . 1.73 108.023 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -78.15 158.06 29.21 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 109.36 -0.607 . . . . 3.1 109.36 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -66.97 -21.04 65.98 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.15 0.5 . . . . 0.43 110.585 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.51 -26.06 64.35 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.201 -0.909 . . . . 2.48 109.417 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -79.6 -38.7 33.34 Favored 'General case' 0 CA--C 1.505 -0.782 0 O-C-N 121.921 -0.487 . . . . 2.01 110.265 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.6 pt -98.21 11.92 5.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 113.373 0.879 . . . . 0.65 113.373 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.08 45.18 96.61 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 115.844 -0.616 . . . . 0.55 114.163 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -106.47 125.61 51.22 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 113.066 0.765 . . . . 1.1 113.066 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.542 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 35.4 t70 -90.86 165.45 13.6 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.777 -1.102 . . . . 1.89 110.9 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -58.46 -46.26 86.94 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 125.118 1.367 . . . . 0.88 110.724 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.418 ' HA ' ' SD ' ' A' ' 46' ' ' MET . 7.9 mp -67.69 -27.41 66.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.044 0.449 . . . . 1.7 111.394 -177.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.85 -37.2 62.29 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.844 -0.616 . . . . 0.46 109.503 177.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 83.9 mt -65.44 -39.18 91.76 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.677 -0.692 . . . . 0.31 110.321 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.478 ' HE3' ' HB3' ' A' ' 62' ' ' ASP . 71.3 mtp -59.09 -47.88 83.64 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.09 -0.959 . . . . 1.7 110.26 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -58.59 -43.38 89.47 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.083 -0.71 . . . . 1.92 109.083 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.568 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 72.0 m -59.83 -54.94 40.41 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.844 -1.071 . . . . 0.43 110.543 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.04 -38.42 88.63 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 112.117 0.414 . . . . 0.29 112.117 -178.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -56.65 -39.22 73.33 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.265 0.555 . . . . 0.38 111.813 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.568 ' NH2' ' HA ' ' A' ' 48' ' ' THR . 13.4 ttp-105 -64.04 -32.53 74.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.621 -0.718 . . . . 2.54 111.067 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt -79.36 -37.22 37.94 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 115.575 -0.739 . . . . 0.4 110.293 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.518 ' OE2' ' HA ' ' A' ' 50' ' ' ALA . 45.2 mt-10 -54.52 -59.33 4.83 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 123.785 0.678 . . . . 0.64 110.914 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -65.49 -24.38 67.14 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.272 -0.877 . . . . 1.33 111.991 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -81.93 -45.53 15.3 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 112.144 0.424 . . . . 3.79 112.144 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.493 ' CE2' HD23 ' A' ' 5' ' ' LEU . 97.9 m-85 -96.51 -11.9 24.85 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.39 0.515 . . . . 1.17 112.39 -175.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.47 63.41 1.56 Allowed Glycine 0 N--CA 1.433 -1.538 0 C-N-CA 120.673 -0.775 . . . . 0.91 111.816 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 p -149.29 167.59 3.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 107.518 -1.29 . . . . 1.17 107.518 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 p -141.62 121.74 13.8 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.037 0.446 . . . . 1.6 110.722 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.403 HD12 HD13 ' A' ' 78' ' ' ILE . 69.2 mt -126.35 125.28 24.56 Favored Pre-proline 0 C--N 1.3 -1.578 0 N-CA-C 108.791 -0.818 . . . . 0.95 108.791 -177.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HB2' HG23 ' A' ' 64' ' ' VAL . 93.4 Cg_exo -47.14 140.78 13.78 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.683 2.922 . . . . 0.69 113.038 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.478 ' HB3' ' HE3' ' A' ' 46' ' ' MET . 14.0 m-20 -53.24 -51.86 60.82 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 124.729 1.212 . . . . 2.19 111.893 -174.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -53.77 -44.22 69.87 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.808 0.843 . . . . 2.48 111.876 -177.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 61' ' ' PRO . 63.0 t -56.55 -44.52 80.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 124.653 1.181 . . . . 0.56 111.204 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.3 -25.85 66.07 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.825 -0.625 . . . . 0.51 111.941 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.75 0.75 67.75 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.712 -0.756 . . . . 0.97 112.468 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -89.24 -4.83 58.04 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 122.17 -0.606 . . . . 3.52 111.566 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.1 m -86.71 119.88 35.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-O 121.768 0.794 . . . . 0.5 111.36 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -84.67 -34.05 23.09 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.187 -0.915 . . . . 1.88 108.856 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 p -120.83 145.05 40.41 Favored Pre-proline 0 N--CA 1.433 -1.305 0 CA-C-N 114.642 -1.163 . . . . 0.43 110.097 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 31.3 Cg_exo -62.85 -19.8 69.62 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 123.434 2.756 . . . . 0.34 111.842 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.75 -41.28 77.27 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.623 -0.717 . . . . 2.05 109.551 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 67.0 mm-40 -74.66 -39.77 61.84 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.342 -0.845 . . . . 2.23 110.82 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.16 -45.23 95.47 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 108.21 -1.033 . . . . 1.17 108.21 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.452 HD12 HD13 ' A' ' 5' ' ' LEU . 37.5 tp -57.65 -50.17 74.04 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 124.057 0.943 . . . . 0.6 109.025 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.57 -35.97 79.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.523 -1.217 . . . . 0.89 111.956 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 77.9 mt -56.61 -54.26 48.13 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 120.823 0.344 . . . . 1.06 110.406 177.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.403 HD13 HD12 ' A' ' 60' ' ' ILE . 39.9 mm -64.74 -51.55 65.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.488 -0.778 . . . . 0.62 109.611 -177.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -52.37 -53.61 42.53 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.562 0.539 . . . . 1.45 110.868 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.08 -48.71 84.66 Favored Glycine 0 C--O 1.218 -0.888 0 CA-C-N 115.691 -0.686 . . . . 0.48 112.946 -177.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.07 -37.44 85.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.02 0.41 . . . . 0.56 111.773 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.12 -43.85 70.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.515 0.198 . . . . 0.72 110.556 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.27 -20.98 60.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.214 0.53 . . . . 0.93 111.849 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.17 -32.5 72.79 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.259 0.552 . . . . 2.7 109.95 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.65 13.37 34.99 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.602 -0.727 . . . . 2.73 109.784 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.476 0 N-CA-C 109.117 -0.698 . . . . 5.02 109.117 -179.361 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.471 ' N ' ' HA ' ' A' ' 86' ' ' ALA . 66.4 mtt . . . . . 0 CA--C 1.501 -0.928 0 N-CA-C 108.34 -0.985 . . . . 5.31 108.34 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.19 154.43 36.85 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.584 -0.895 . . . . 1.46 108.584 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 t -106.0 107.1 17.92 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 122.413 1.102 . . . . 1.7 109.388 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.95 125.52 31.49 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 114.606 -1.179 . . . . 1.02 108.371 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.98 146.36 39.63 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 110.023 -0.362 . . . . 1.37 110.023 -176.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.3 p -92.84 -170.77 2.53 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 112.85 0.685 . . . . 0.88 112.85 -172.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.4 m -59.22 -54.45 46.75 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.829 0.852 . . . . 0.7 110.226 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.426 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 24.8 t70 -66.03 -28.26 68.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.571 -0.286 . . . . 2.29 111.331 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.57 -52.17 64.45 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.604 -0.517 . . . . 1.83 109.604 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.603 HD22 ' HB2' ' A' ' 75' ' ' LEU . 57.3 tp -62.23 -41.99 98.91 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.78 -0.646 . . . . 0.75 109.47 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.763 ' HG3' ' HB2' ' A' ' 26' ' ' LEU . 41.3 ttm180 -50.78 -57.28 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.368 1.067 . . . . 2.88 110.75 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 51.5 mtt180 -68.11 -39.81 82.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.62 -0.264 . . . . 3.46 111.389 -177.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.6 73.75 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.295 0.48 . . . . 0.63 112.295 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD23 HD11 ' A' ' 26' ' ' LEU . 44.2 tp -77.01 -37.42 55.01 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.825 -0.435 . . . . 0.62 109.825 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.496 HG13 ' H ' ' A' ' 23' ' ' GLY . 94.8 t -62.18 -36.66 75.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 CA-C-N 116.197 -0.456 . . . . 0.74 109.83 176.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 31.5 mm-40 -56.16 -33.61 65.39 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.69 -0.687 . . . . 2.04 111.358 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 m -78.23 -25.12 46.8 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.156 0.503 . . . . 1.3 111.179 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.39 -39.55 38.76 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.24 0.543 . . . . 1.93 109.79 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.9 144.82 10.04 Favored Glycine 0 N--CA 1.43 -1.749 0 N-CA-C 109.534 -1.427 . . . . 2.29 109.534 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 63.92 -177.71 0.16 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.865 0.866 . . . . 5.38 111.56 -175.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -102.85 29.97 5.05 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.332 -1.358 . . . . 6.11 107.332 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -140.9 41.42 1.83 Allowed 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 114.421 -1.263 . . . . 5.17 107.97 -176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.496 ' H ' HG13 ' A' ' 15' ' ' VAL . . . -59.9 -56.09 26.71 Favored Glycine 0 CA--C 1.509 -0.34 0 N-CA-C 111.571 -0.612 . . . . 3.06 111.571 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 t -170.03 -171.05 1.08 Allowed 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 106.096 -1.816 . . . . 2.78 106.096 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -114.4 106.23 14.05 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.788 -0.765 . . . . 2.9 110.46 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.763 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 83.7 mt -107.04 37.95 2.23 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 114.882 -1.054 . . . . 1.38 108.909 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 m -91.14 -4.43 56.18 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.485 -0.78 . . . . 1.8 111.646 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.58 -166.24 27.38 Favored Glycine 0 C--N 1.288 -2.104 0 N-CA-C 108.646 -1.782 . . . . 1.82 108.646 177.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -82.27 83.56 7.38 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.089 -1.078 . . . . 2.57 108.089 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 33' ' ' LEU . 33.1 p90 -83.47 0.44 46.32 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 114.817 -1.083 . . . . 0.73 111.199 -175.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.6 mm? -69.27 -36.99 77.65 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.774 -0.37 . . . . 1.26 111.442 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.56 -3.3 33.68 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.288 -0.565 . . . . 2.24 110.379 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 30' ' ' PHE . 59.7 tp -73.36 106.07 5.02 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.442 -0.948 . . . . 1.73 108.442 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -63.84 149.55 46.73 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.904 -0.589 . . . . 3.1 112.338 -171.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -66.53 -29.15 69.18 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.423 -0.808 . . . . 0.43 111.146 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.22 -25.1 66.75 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.077 0.465 . . . . 2.48 110.268 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -82.43 -37.63 25.2 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 120.86 0.362 . . . . 2.01 110.511 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.7 pt -90.05 14.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 112.653 0.612 . . . . 0.65 112.653 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.74 49.17 75.29 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.511 -0.768 . . . . 0.55 114.081 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.54 126.61 55.12 Favored 'General case' 0 N--CA 1.423 -1.784 0 N-CA-C 112.292 0.479 . . . . 1.1 112.292 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.656 ' HB3' H312 ' A' ' 87' ' ' PNS . 39.0 m-20 -97.97 174.72 6.42 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.884 -1.154 . . . . 1.89 107.884 175.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' MET . 65.2 m -59.04 -39.04 80.78 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.187 1.18 . . . . 0.88 114.187 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.3 -43.12 96.58 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.603 0.594 . . . . 1.7 112.603 -177.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.36 73.82 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.145 0.498 . . . . 0.46 110.841 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 45.9 mt -72.17 -39.34 68.77 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.407 -0.59 . . . . 0.31 109.407 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.424 ' HG3' ' O ' ' A' ' 42' ' ' SER . 60.0 mtt -65.88 -42.65 90.05 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 115.126 -0.943 . . . . 1.7 109.786 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.35 -43.56 83.57 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 121.77 0.795 . . . . 1.92 109.232 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.544 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 86.1 m -61.52 -56.18 22.81 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.974 -1.012 . . . . 0.43 110.546 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.85 90.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.61 0.243 . . . . 0.29 111.342 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.25 82.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.931 0.715 . . . . 0.38 112.931 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 48' ' ' THR . 5.3 ptp180 -69.61 -32.77 71.68 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 119.856 -0.738 . . . . 2.54 109.33 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.59 -33.73 66.93 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.435 -0.802 . . . . 0.4 110.016 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -55.3 -59.72 4.4 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 123.714 0.634 . . . . 0.64 110.034 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.2 m -61.74 -28.23 69.28 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 114.912 -1.04 . . . . 1.33 112.0 -176.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -81.12 -44.95 17.17 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.932 -0.577 . . . . 3.79 111.914 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -101.29 -9.96 20.74 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 114.318 1.229 . . . . 1.17 114.318 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.21 58.03 2.68 Favored Glycine 0 C--O 1.248 0.973 0 C-N-CA 120.521 -0.847 . . . . 0.91 112.155 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.8 p -145.54 134.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 108.537 -0.912 . . . . 1.17 108.537 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.1 m -106.07 118.74 37.41 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 120.82 0.343 . . . . 1.6 110.662 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.669 HD12 HD13 ' A' ' 78' ' ' ILE . 79.7 mt -131.78 124.67 19.94 Favored Pre-proline 0 C--N 1.31 -1.137 0 N-CA-C 108.924 -0.769 . . . . 0.95 108.924 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.579 ' HB2' HG23 ' A' ' 64' ' ' VAL . 38.4 Cg_exo -55.54 135.48 69.47 Favored 'Trans proline' 0 C--O 1.243 0.742 0 C-N-CA 123.142 2.561 . . . . 0.69 112.405 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -55.44 -38.65 69.28 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 123.839 0.855 . . . . 2.19 112.01 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -65.47 -21.32 66.63 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.728 0.299 . . . . 2.48 111.687 -176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 61' ' ' PRO . 61.3 t -71.31 -35.05 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.342 0.591 . . . . 0.56 109.877 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.13 -7.85 54.07 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.956 -0.565 . . . . 0.51 111.275 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.54 18.31 55.39 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 111.252 -0.739 . . . . 0.97 111.252 177.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -114.53 -0.96 13.53 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.477 0.656 . . . . 3.52 109.849 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.491 HG21 HD23 ' A' ' 74' ' ' LEU . 26.5 m -95.21 118.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-O 121.629 0.728 . . . . 0.5 111.514 -174.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -85.91 -35.66 20.38 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.99 -1.004 . . . . 1.88 108.777 -177.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -121.5 148.22 49.61 Favored Pre-proline 0 CA--C 1.552 1.04 0 CA-C-N 115.038 -0.983 . . . . 0.43 110.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.28 -24.53 77.63 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.966 3.111 . . . . 0.34 113.351 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.502 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 41.9 ttm180 -59.03 -36.62 75.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.184 0.516 . . . . 2.05 110.133 177.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 33.8 mt-10 -72.89 -40.98 65.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.313 -0.858 . . . . 2.23 109.911 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.491 HD23 HG21 ' A' ' 68' ' ' VAL . 3.0 tm? -63.74 -41.18 98.08 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.991 -0.744 . . . . 1.17 108.991 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.603 ' HB2' HD22 ' A' ' 10' ' ' LEU . 58.5 tp -60.35 -44.31 95.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.293 -0.867 . . . . 0.6 109.626 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.7 -29.78 69.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.057 -0.974 . . . . 0.89 111.834 -177.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 85.9 mt -62.83 -50.26 71.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.98 0.419 . . . . 1.06 110.209 177.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.669 HD13 HD12 ' A' ' 60' ' ' ILE . 49.4 mm -68.75 -63.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.462 -0.79 . . . . 0.62 109.806 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.66 -33.77 74.54 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.603 -0.726 . . . . 1.45 111.945 -175.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.04 -37.96 92.28 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.484 -0.389 . . . . 0.48 112.254 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.57 -35.24 65.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.175 0.512 . . . . 0.56 109.684 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.22 -31.73 71.45 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 115.892 -0.594 . . . . 0.72 110.767 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.23 -16.86 62.87 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.816 0.446 . . . . 0.93 111.768 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -85.6 -1.92 57.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.287 -0.415 . . . . 2.7 110.778 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.64 102.14 13.91 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.316 0.579 . . . . 2.73 110.525 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.471 ' HA ' ' N ' ' A' ' 1' ' ' MET . . . . . . . . 0 N--CA 1.425 -1.724 0 N-CA-C 108.493 -0.928 . . . . 5.02 108.493 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PNS . . . . . 0.768 H281 ' H36' ' A' ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 C--O 1.241 0.649 0 CA-C-O 120.598 0.237 . . . . 5.31 110.904 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.29 140.47 43.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.831 0.348 . . . . 1.46 110.622 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t -87.7 107.66 18.73 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 121.387 0.613 . . . . 1.7 109.836 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.29 121.52 23.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.978 -0.379 . . . . 1.02 109.978 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.643 HD23 ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -69.47 150.41 47.23 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 112.938 0.718 . . . . 1.37 112.938 178.617 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.5 p -106.05 -170.44 1.73 Allowed 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.603 -0.726 . . . . 0.88 111.88 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.5 m -66.77 -37.53 84.79 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.18 -0.674 . . . . 0.7 109.18 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 20.7 m-20 -54.92 -50.16 69.5 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 115.825 -0.625 . . . . 2.29 110.245 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.24 -47.39 70.92 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.024 -0.989 . . . . 1.83 110.488 -177.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.623 HD22 ' HB2' ' A' ' 75' ' ' LEU . 54.5 tp -56.0 -44.09 78.3 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.754 0.658 . . . . 0.75 110.733 178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ttp-105 -59.61 -55.32 35.98 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.803 -0.635 . . . . 2.88 110.559 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 65.3 mtt180 -59.8 -40.36 88.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.773 -0.649 . . . . 3.46 110.347 -178.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . -67.53 -42.66 82.38 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.62 0.575 . . . . 0.63 112.296 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 tp -69.52 -40.9 76.64 Favored 'General case' 0 C--N 1.309 -1.164 0 O-C-N 121.958 -0.464 . . . . 0.62 110.838 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.2 t -70.29 -17.4 20.76 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 CA-C-O 121.995 0.903 . . . . 0.74 109.769 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 33.0 tt0 -79.61 -31.56 41.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.032 -0.985 . . . . 2.04 109.101 177.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.586 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 43.8 m -64.87 -37.8 88.83 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.313 0.578 . . . . 1.3 109.807 176.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' HB1' ' HG3' ' A' ' 20' ' ' GLU . . . -73.66 -37.55 65.26 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.341 -0.845 . . . . 1.93 109.052 175.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.36 16.69 73.26 Favored Glycine 0 N--CA 1.439 -1.159 0 CA-C-N 115.119 -0.946 . . . . 2.29 110.991 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HG3' ' HB1' ' A' ' 18' ' ' ALA . 44.8 mt-10 -81.33 -40.32 23.77 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-O 121.618 0.723 . . . . 5.38 110.055 -178.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 p 46.08 70.12 0.41 Allowed 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 113.696 -1.593 . . . . 6.11 113.062 -177.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -148.03 -48.99 0.16 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.2 -0.909 . . . . 5.17 108.792 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.45 -43.55 0.21 Allowed Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 120.196 -1.002 . . . . 3.06 112.267 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.8 m 60.2 28.58 18.17 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-O 122.193 0.997 . . . . 2.78 110.392 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.0 t70 62.41 21.21 12.42 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.881 1.273 . . . . 2.9 111.127 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.0 mt -105.37 15.9 26.48 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 115.018 -0.992 . . . . 1.38 109.835 -178.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.4 m -87.18 7.21 29.24 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 114.067 1.136 . . . . 1.8 114.067 -171.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.04 56.37 0.55 Allowed Glycine 0 C--N 1.309 -0.97 0 N-CA-C 111.249 -0.74 . . . . 1.82 111.249 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 t70 67.99 138.17 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 125.706 1.603 . . . . 2.57 110.388 -174.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -147.98 18.48 1.12 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 116.317 -0.401 . . . . 0.73 110.3 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.597 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 6.5 mp -66.9 -28.4 68.28 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 114.387 1.254 . . . . 1.26 114.387 -173.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.4 11.89 18.62 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.838 0.827 . . . . 2.24 109.643 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.7 tp -90.09 102.56 15.28 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 106.569 -1.641 . . . . 1.73 106.569 176.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -57.38 150.61 17.97 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 113.302 0.853 . . . . 3.1 113.302 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.555 ' HA ' HG12 ' A' ' 38' ' ' ILE . 77.9 m-85 -71.2 -37.44 72.09 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.822 -1.081 . . . . 0.43 109.732 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.56 -31.94 73.38 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.604 -0.887 . . . . 2.48 108.604 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -81.6 -10.52 59.41 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.83 -1.077 . . . . 2.01 110.772 -176.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.555 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.8 pt -118.91 18.36 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 116.31 -0.404 . . . . 0.65 110.646 175.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.1 42.13 99.69 Favored Glycine 0 CA--C 1.525 0.68 0 CA-C-N 115.455 -0.793 . . . . 0.55 114.62 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.87 147.35 28.82 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 117.134 0.467 . . . . 1.1 110.459 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' HA ' H302 ' A' ' 87' ' ' PNS . 8.3 m-20 -96.25 148.67 22.5 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.87 -0.789 . . . . 1.89 108.87 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.491 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 48.1 m -65.12 -24.48 67.43 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.871 0.367 . . . . 0.88 111.799 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.34 -32.09 72.79 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.064 0.459 . . . . 1.7 109.829 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.29 -24.57 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.653 -0.703 . . . . 0.46 110.111 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 50.4 mt -70.82 -37.73 73.23 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.859 -0.793 . . . . 0.31 108.859 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.429 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 62.0 mtt -61.78 -44.76 96.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.634 -1.166 . . . . 1.7 108.786 176.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.0 -38.81 87.36 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.316 -0.856 . . . . 1.92 111.114 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.598 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 91.8 m -63.83 -54.56 33.16 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.744 -0.662 . . . . 0.43 110.708 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.45 78.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.65 0.262 . . . . 0.29 110.863 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.435 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.57 -38.69 85.4 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.642 0.608 . . . . 0.38 112.642 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.9 ptp180 -71.17 -24.02 62.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.598 0.713 . . . . 2.54 109.953 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -83.93 -26.51 29.26 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.529 -0.759 . . . . 0.4 111.346 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.435 ' HG3' ' HA ' ' A' ' 50' ' ' ALA . 47.4 mt-10 -53.9 -62.25 1.78 Allowed 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 123.467 0.479 . . . . 0.64 111.208 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.9 m -74.43 -23.41 58.92 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.878 -0.601 . . . . 1.33 111.46 -174.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -69.91 -36.85 75.69 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.876 -0.602 . . . . 3.79 110.333 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.655 ' HB3' HD21 ' A' ' 82' ' ' LEU . 92.4 m-85 -108.21 4.01 24.28 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.995 0.739 . . . . 1.17 112.995 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.81 22.79 71.17 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 116.258 -0.428 . . . . 0.91 113.607 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.1 m -115.46 176.52 2.27 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 C-N-CA 122.391 0.276 . . . . 1.17 110.943 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -143.59 133.31 23.78 Favored 'General case' 0 N--CA 1.426 -1.632 0 N-CA-C 109.232 -0.655 . . . . 1.6 109.232 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.659 HD12 HD13 ' A' ' 78' ' ' ILE . 59.5 mt -134.13 121.42 15.6 Favored Pre-proline 0 C--N 1.316 -0.887 0 CA-C-N 115.879 -0.601 . . . . 0.95 109.552 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 52.3 Cg_exo -58.1 153.04 47.93 Favored 'Trans proline' 0 CA--C 1.547 1.136 0 C-N-CA 123.467 2.778 . . . . 0.69 113.604 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.85 -47.9 79.3 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.314 1.045 . . . . 2.19 112.947 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 15.5 m-20 -67.02 -17.25 64.83 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 111.927 0.343 . . . . 2.48 111.927 -175.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.412 HG12 HD13 ' A' ' 77' ' ' LEU . 61.4 t -78.97 -52.32 15.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 108.401 -0.963 . . . . 0.56 108.401 178.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 46' ' ' MET . . . -61.0 -30.78 70.49 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.364 -0.835 . . . . 0.51 111.859 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.49 5.65 82.49 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.261 -0.971 . . . . 0.97 112.892 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 37.2 ttt180 -98.29 0.63 45.97 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.443 0.64 . . . . 3.52 110.506 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.539 HG21 HD23 ' A' ' 74' ' ' LEU . 31.2 m -94.38 120.67 44.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-O 121.692 0.758 . . . . 0.5 112.331 -177.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -77.94 -41.42 36.4 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.009 -0.996 . . . . 1.88 110.38 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -119.95 146.38 41.93 Favored Pre-proline 0 N--CA 1.435 -1.187 0 CA-C-N 115.991 -0.549 . . . . 0.43 111.352 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -59.73 -21.74 64.62 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.983 3.122 . . . . 0.34 113.879 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.597 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 40.5 ttm180 -61.75 -32.67 72.94 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.55 -0.537 . . . . 2.05 109.55 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 59.2 mm-40 -82.06 -33.24 30.0 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.78 -0.646 . . . . 2.23 110.894 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.545 HD12 HD11 ' A' ' 10' ' ' LEU . 2.9 tm? -65.46 -39.44 92.0 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 108.33 -0.989 . . . . 1.17 108.33 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.623 ' HB2' HD22 ' A' ' 10' ' ' LEU . 48.7 tp -59.38 -48.59 81.07 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 115.234 -0.894 . . . . 0.6 108.735 175.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.26 -32.72 74.19 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 114.164 -1.38 . . . . 0.89 112.602 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 81.8 mt -58.61 -47.39 84.5 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 120.952 0.406 . . . . 1.06 110.452 177.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.659 HD13 HD12 ' A' ' 60' ' ' ILE . 41.2 mm -70.73 -50.87 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 108.935 -0.765 . . . . 0.62 108.935 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 12.3 m120 -52.41 -46.23 66.22 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.475 0.484 . . . . 1.45 111.261 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.547 ' O ' ' HG3' ' A' ' 84' ' ' GLU . . . -61.5 -47.35 91.17 Favored Glycine 0 N--CA 1.439 -1.142 0 O-C-N 123.604 0.565 . . . . 0.48 112.338 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.4 94.59 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.44 0.638 . . . . 0.56 110.536 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 56' ' ' TYR . 93.0 mt -68.4 -37.1 80.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.305 -0.862 . . . . 0.72 110.47 178.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.6 -32.4 73.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.231 0.539 . . . . 0.93 110.409 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 41.3 mt-10 -76.41 -12.34 60.04 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.919 -0.582 . . . . 2.7 110.856 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.55 -7.92 30.24 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.463 -0.569 . . . . 2.73 109.463 176.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 C-N-CA 125.588 1.555 . . . . 5.02 112.523 179.061 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PNS . . . . . 0.458 H302 ' HA ' ' A' ' 41' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 C--O 1.239 0.523 0 CA-C-O 121.094 0.473 . . . . 5.31 109.734 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.467 ' HB1' HD22 ' A' ' 82' ' ' LEU . . . -84.31 177.06 8.32 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 121.326 0.584 . . . . 1.46 111.562 -176.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 t -114.38 107.69 15.89 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 115.71 -0.677 . . . . 1.7 109.541 -178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.83 140.45 49.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.309 -0.626 . . . . 1.02 109.309 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -83.99 157.26 21.92 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 116.388 -0.369 . . . . 1.37 111.172 176.303 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.7 p -94.05 -170.84 2.4 Favored 'General case' 0 N--CA 1.428 -1.574 0 O-C-N 123.549 0.531 . . . . 0.88 111.45 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -73.99 -43.61 57.45 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 108.477 -0.934 . . . . 0.7 108.477 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 31.8 t70 -62.04 -33.62 74.72 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.92 -0.582 . . . . 2.29 110.792 178.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 33.3 t70 -72.22 -42.76 65.36 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.428 -0.509 . . . . 1.83 110.216 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 75' ' ' LEU . 51.1 tp -56.96 -46.32 82.24 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.945 -0.761 . . . . 0.75 108.945 174.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 61.8 ttt180 -52.96 -51.73 60.48 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.622 -1.172 . . . . 2.88 110.984 176.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 66.9 mtp180 -57.0 -43.96 82.29 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.419 0.628 . . . . 3.46 111.413 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 52' ' ' LEU . . . -71.63 -25.8 62.3 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.443 -0.799 . . . . 0.63 111.442 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.551 ' HG ' ' OH ' ' A' ' 40' ' ' TYR . 15.1 tp -81.71 -48.64 11.42 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.508 -0.553 . . . . 0.62 109.508 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 26' ' ' LEU . 70.8 t -60.68 -17.77 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.525 0.73 . . . . 0.74 112.347 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.79 -28.14 67.35 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.866 -0.522 . . . . 2.04 109.785 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.0 p -90.27 -49.96 6.25 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 112.1 0.408 . . . . 1.3 112.1 175.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . . . -120.58 95.77 4.86 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-O 122.286 1.041 . . . . 1.93 110.59 178.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.67 42.48 0.71 Allowed Glycine 0 C--N 1.282 -2.419 0 N-CA-C 106.467 -2.653 . . . . 2.29 106.467 175.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -102.14 -145.94 0.36 Allowed 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 113.689 -1.256 . . . . 5.38 107.706 -173.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.4 m -79.35 71.13 5.88 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-O 122.748 1.261 . . . . 6.11 109.003 176.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -147.95 -64.74 0.26 Allowed 'General case' 0 C--N 1.265 -3.069 0 CA-C-N 112.97 -1.923 . . . . 5.17 107.07 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.4 46.75 57.68 Favored Glycine 0 CA--C 1.494 -1.279 0 C-N-CA 123.938 0.78 . . . . 3.06 112.893 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.2 t -66.34 153.87 41.53 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 108.242 -1.022 . . . . 2.78 108.242 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -76.43 94.87 3.72 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 122.194 0.997 . . . . 2.9 108.91 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.484 HD23 HG22 ' A' ' 15' ' ' VAL . 18.0 tp -107.05 32.97 4.22 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 113.537 -1.665 . . . . 1.38 108.123 -172.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 m -116.33 168.42 10.15 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.465 -1.243 . . . . 1.8 108.377 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.36 -124.68 8.32 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.023 -0.608 . . . . 1.82 113.045 177.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -105.71 101.91 11.4 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 107.371 -1.344 . . . . 2.57 107.371 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.45 ' HB2' HD12 ' A' ' 33' ' ' LEU . 51.7 p90 -133.48 7.51 3.87 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.893 0.701 . . . . 0.73 112.893 -171.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.632 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 5.8 mp -67.81 -12.96 61.69 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 113.755 1.02 . . . . 1.26 113.755 -176.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -101.92 -1.31 32.28 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 111.527 0.195 . . . . 2.24 111.527 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.49 ' O ' ' HD3' ' A' ' 71' ' ' PRO . 94.5 mt -77.0 115.76 17.07 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 109.377 -0.601 . . . . 1.73 109.377 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -66.48 145.21 55.9 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 120.971 0.415 . . . . 3.1 110.661 -178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.682 ' HB3' ' HB2' ' A' ' 40' ' ' TYR . 48.2 m-85 -63.74 -24.22 67.68 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.655 -0.702 . . . . 0.43 111.438 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.54 -44.6 96.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.127 -0.488 . . . . 2.48 110.255 174.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.22 -42.67 71.99 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 116.037 -0.529 . . . . 2.01 110.053 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.489 HG13 ' HD1' ' A' ' 40' ' ' TYR . 30.9 pt -86.85 14.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 113.555 0.946 . . . . 0.65 113.555 -176.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.13 50.35 63.94 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 115.14 0.816 . . . . 0.55 115.14 173.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.682 ' HB2' ' HB3' ' A' ' 35' ' ' PHE . 13.4 m-85 -106.36 157.53 17.54 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 113.096 0.776 . . . . 1.1 113.096 178.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.472 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 9.9 t0 -115.65 159.68 21.02 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 105.754 -1.943 . . . . 1.89 105.754 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.523 ' O ' ' HG3' ' A' ' 46' ' ' MET . 19.4 m -67.68 -39.9 84.44 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 108.905 -0.776 . . . . 0.88 108.905 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.42 -31.63 71.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.005 -0.543 . . . . 1.7 109.638 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.08 -35.0 76.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.46 109.64 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.672 ' HB2' ' HA2' ' A' ' 66' ' ' GLY . 93.6 mt -71.65 -38.68 70.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.991 -0.549 . . . . 0.31 110.057 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 63.7 mtt -62.98 -43.24 99.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.396 -0.82 . . . . 1.7 109.239 176.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.9 -43.7 91.08 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.771 -0.649 . . . . 1.92 109.523 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.5 m -57.71 -51.89 67.69 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.313 -0.858 . . . . 0.43 110.748 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -65.23 -41.22 94.6 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.754 -0.203 . . . . 0.29 111.451 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -57.23 -41.4 79.46 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.599 0.592 . . . . 0.38 112.599 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -72.34 -23.88 61.21 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.966 -0.459 . . . . 2.54 111.886 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 13' ' ' ALA . 94.2 mt -82.86 -39.65 21.32 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 116.061 -0.518 . . . . 0.4 110.75 178.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.434 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 49.3 mt-10 -51.71 -49.76 61.83 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 122.796 0.439 . . . . 0.64 110.2 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.8 t -57.39 -43.64 83.85 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.536 -1.211 . . . . 1.33 112.239 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -77.17 -37.83 52.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.304 0.573 . . . . 3.79 111.305 -175.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.593 ' HB3' HD21 ' A' ' 82' ' ' LEU . 99.6 m-85 -95.1 -9.13 34.52 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 113.934 1.087 . . . . 1.17 113.934 -173.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.73 38.75 23.07 Favored Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 121.166 -0.54 . . . . 0.91 112.783 175.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 34.3 m -115.87 175.63 2.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-O 120.845 0.355 . . . . 1.17 111.41 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -139.95 112.68 7.99 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 108.983 -0.747 . . . . 1.6 108.983 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.9 mt -127.44 122.86 22.95 Favored Pre-proline 0 C--N 1.307 -1.24 0 N-CA-C 108.506 -0.924 . . . . 0.95 108.506 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.417 ' HB2' HG23 ' A' ' 64' ' ' VAL . 36.4 Cg_exo -58.53 132.76 50.24 Favored 'Trans proline' 0 C--O 1.251 1.127 0 C-N-CA 122.715 2.277 . . . . 0.69 112.717 -179.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' A' ' 46' ' ' MET . 9.5 m-20 -49.8 -50.5 44.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.532 1.133 . . . . 2.19 110.933 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.39 -30.71 63.07 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.745 0.818 . . . . 2.48 111.759 -175.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 61' ' ' PRO . 86.3 t -79.77 -51.68 15.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 C-N-CA 123.764 0.826 . . . . 0.56 109.592 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -54.16 -36.4 63.32 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 123.933 0.893 . . . . 0.51 112.382 -177.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.672 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -85.84 -8.83 78.94 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.218 -0.991 . . . . 0.97 113.463 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -100.13 14.54 30.41 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.949 0.88 . . . . 3.52 110.941 -174.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 65' ' ' ALA . 18.1 m -81.43 161.17 3.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.155 -0.683 . . . . 0.5 109.155 173.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -117.25 -36.5 3.75 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.318 0.58 . . . . 1.88 111.341 -175.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 28.5 p -122.37 147.05 48.82 Favored Pre-proline 0 C--N 1.302 -1.487 0 CA-C-N 115.79 -0.641 . . . . 0.43 110.467 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 74.6 Cg_exo -53.89 -29.27 52.7 Favored 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 124.164 3.242 . . . . 0.34 113.844 -176.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.632 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 5.5 ptp180 -60.05 -35.24 74.71 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 120.694 0.283 . . . . 2.05 111.13 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.569 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 36.0 mt-10 -72.69 -36.32 67.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.091 -0.504 . . . . 2.23 110.818 -176.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.43 HD22 HD12 ' A' ' 77' ' ' LEU . 2.4 tm? -73.27 -39.0 65.74 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.077 -1.083 . . . . 1.17 108.077 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.681 ' HB2' HD22 ' A' ' 10' ' ' LEU . 46.3 tp -60.76 -47.05 88.05 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.554 -0.906 . . . . 0.6 108.554 175.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.01 -34.91 77.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.315 -1.312 . . . . 0.89 112.232 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 69.5 mt -60.12 -38.31 82.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.998 0.428 . . . . 1.06 110.553 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.2 mm -77.46 -56.92 6.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.945 -0.761 . . . . 0.62 108.945 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.422 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 14.0 m120 -51.86 -48.91 63.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.376 0.671 . . . . 1.45 111.886 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.88 -41.21 99.62 Favored Glycine 0 CA--C 1.506 -0.498 0 O-C-N 123.443 0.464 . . . . 0.48 112.828 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.44 -47.63 81.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.23 0.538 . . . . 0.56 110.039 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.593 HD21 ' HB3' ' A' ' 56' ' ' TYR . 90.7 mt -66.7 -34.93 78.94 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.39 -0.823 . . . . 0.72 111.739 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.46 -17.72 60.06 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.408 0.623 . . . . 0.93 110.775 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -81.38 -58.92 2.82 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.389 -1.337 . . . . 2.7 107.389 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -168.26 -64.79 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 107.392 -1.336 . . . . 2.73 107.392 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.868 0 C-N-CA 127.033 2.133 . . . . 5.02 106.003 178.178 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PNS . . . . . 0.437 H282 ' N36' ' A' ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 108.455 -0.943 . . . . 5.31 108.455 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.83 161.75 38.49 Favored 'General case' 0 C--O 1.242 0.688 0 O-C-N 121.426 -0.797 . . . . 1.46 111.876 -176.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.6 m -107.62 106.08 16.25 Favored 'General case' 0 N--CA 1.425 -1.716 0 N-CA-C 108.403 -0.962 . . . . 1.7 108.403 178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' A' ' 79' ' ' ASN . 72.1 mt -73.07 125.13 26.95 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 120.967 0.413 . . . . 1.02 110.403 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.599 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 3.3 pp -79.27 149.03 31.94 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 116.144 -0.48 . . . . 1.37 109.745 174.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.4 p -96.15 -170.62 2.14 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 116.263 -0.426 . . . . 0.88 110.395 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -65.46 -44.63 86.61 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.414 -0.587 . . . . 0.7 109.414 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.75 -41.05 99.03 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.858 -0.61 . . . . 2.29 111.247 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.599 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 55.4 m-20 -63.55 -42.78 98.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 110.066 -0.346 . . . . 1.83 110.066 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 75' ' ' LEU . 48.5 tp -60.46 -44.52 95.78 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 123.71 0.631 . . . . 0.75 110.948 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.5 ttm105 -55.45 -52.82 62.37 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.214 0.53 . . . . 2.88 110.316 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -63.78 -39.89 95.35 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.227 -0.897 . . . . 3.46 110.712 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.04 -31.51 71.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.639 -0.71 . . . . 0.63 111.481 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.462 HD23 HD21 ' A' ' 26' ' ' LEU . 41.8 tp -78.78 -52.51 8.26 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 122.215 -0.303 . . . . 0.62 110.813 -179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.9 t -61.17 -23.23 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 116.063 -0.517 . . . . 0.74 111.649 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -60.24 -28.08 67.74 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 122.981 0.512 . . . . 2.04 111.201 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 51' ' ' ARG . 44.6 t -85.59 -29.69 23.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.218 0.532 . . . . 1.3 110.447 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.584 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . . . -78.16 -51.05 10.82 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.16 -0.473 . . . . 1.93 110.889 -176.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.9 -109.49 2.81 Favored Glycine 0 N--CA 1.433 -1.566 0 N-CA-C 109.654 -1.378 . . . . 2.29 109.654 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -106.06 -29.2 10.05 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.811 0.815 . . . . 5.38 110.076 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.5 p -77.39 100.04 5.81 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-N 114.385 -1.28 . . . . 6.11 108.815 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 75.71 18.0 2.24 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 124.45 1.1 . . . . 5.17 109.365 -177.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.48 73.22 1.4 Allowed Glycine 0 CA--C 1.501 -0.828 0 CA-C-N 114.494 -1.23 . . . . 3.06 111.121 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.1 m -63.46 146.36 53.77 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 125.483 1.513 . . . . 2.78 109.912 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -50.81 -61.08 2.43 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 109.146 -0.687 . . . . 2.9 109.146 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.462 HD21 HD23 ' A' ' 14' ' ' LEU . 12.4 tp 63.54 15.96 9.25 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.369 1.068 . . . . 1.38 112.063 168.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.6 t -88.12 1.67 53.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.634 0.73 . . . . 1.8 111.924 -173.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.2 -145.8 14.95 Favored Glycine 0 C--N 1.294 -1.764 0 C-N-CA 120.394 -0.908 . . . . 1.82 111.7 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.78 90.93 5.86 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 108.177 -1.046 . . . . 2.57 108.177 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -103.69 8.58 37.38 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 115.838 -0.619 . . . . 0.73 112.174 -175.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.605 ' O ' ' HB ' ' A' ' 70' ' ' THR . 2.8 mm? -77.97 -24.39 48.09 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 120.618 -0.433 . . . . 1.26 109.961 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -101.03 -12.29 18.98 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-O 121.765 0.793 . . . . 2.24 109.785 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.8 tp -80.45 115.58 20.06 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 106.901 -1.518 . . . . 1.73 106.901 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.445 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 58.0 mtm180 -83.74 163.24 20.33 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.297 0.57 . . . . 3.1 110.826 -171.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' HA ' HG12 ' A' ' 38' ' ' ILE . 73.6 m-85 -70.18 -32.22 70.05 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.169 -0.923 . . . . 0.43 110.639 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -37.53 81.38 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.29 -1.004 . . . . 2.48 108.29 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.445 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 38.0 m-20 -71.96 -30.43 65.29 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.692 -0.686 . . . . 2.01 110.536 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.514 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -104.6 20.84 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 113.552 0.945 . . . . 0.65 113.552 -176.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.31 31.67 81.52 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 114.307 0.483 . . . . 0.55 114.307 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.584 ' OH ' ' HB2' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -102.55 122.91 45.31 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 122.452 -0.44 . . . . 1.1 111.014 -179.576 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.96 157.17 25.64 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.764 -0.653 . . . . 1.89 111.127 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 m -60.89 -34.33 74.49 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 123.651 0.78 . . . . 0.88 110.502 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.93 -34.53 78.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.837 -0.619 . . . . 1.7 110.479 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.85 -29.98 67.35 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.836 -0.62 . . . . 0.46 109.663 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -72.03 -43.43 65.0 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.039 -0.528 . . . . 0.31 110.105 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.612 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 65.2 mtt -61.68 -45.0 95.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.684 -0.689 . . . . 1.7 109.713 177.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.18 -43.19 96.04 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.334 -0.848 . . . . 1.92 109.306 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.494 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 40.7 m -61.09 -51.86 67.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 0.43 111.124 177.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.23 -32.14 72.78 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 121.122 -0.231 . . . . 0.29 111.143 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.69 94.26 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.213 0.53 . . . . 0.38 110.292 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 17' ' ' SER . 30.9 ttp-105 -60.89 -33.62 73.39 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.554 0.742 . . . . 2.54 110.254 176.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 48' ' ' THR . 86.6 mt -75.88 -38.02 58.27 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.488 -0.778 . . . . 0.4 111.122 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 48.3 mt-10 -56.11 -55.81 28.42 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.613 0.72 . . . . 0.64 110.338 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.7 p -66.11 -45.79 79.86 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 114.395 -1.275 . . . . 1.33 112.753 -174.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.83 -39.18 64.23 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 112.923 0.712 . . . . 3.79 112.923 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -96.17 -2.19 46.84 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.663 0.616 . . . . 1.17 112.663 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.74 63.71 3.23 Favored Glycine 0 C--N 1.317 -0.52 0 C-N-CA 121.225 -0.512 . . . . 0.91 112.452 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.482 HG23 ' HB2' ' A' ' 85' ' ' ALA . 11.8 p -153.09 175.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.435 -1.32 . . . . 1.17 107.435 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -140.94 136.14 31.92 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 108.267 -1.012 . . . . 1.6 108.267 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.401 ' CD1' HD13 ' A' ' 78' ' ' ILE . 72.3 mt -136.55 130.88 18.14 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 108.734 -0.839 . . . . 0.95 108.734 -177.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.477 ' HB2' HG23 ' A' ' 64' ' ' VAL . 68.6 Cg_exo -53.77 125.5 18.84 Favored 'Trans proline' 0 C--O 1.246 0.907 0 C-N-CA 122.77 2.313 . . . . 0.69 111.768 177.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.612 ' O ' ' HG2' ' A' ' 46' ' ' MET . 5.0 p-10 -63.53 -35.95 82.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.19 -0.914 . . . . 2.19 112.604 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.05 -25.37 65.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.72 0.771 . . . . 2.48 110.628 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 61' ' ' PRO . 94.2 t -72.61 -44.45 60.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 CA-C-N 114.751 -1.113 . . . . 0.56 109.031 177.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.407 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -57.88 -41.33 82.31 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 115.541 -0.754 . . . . 0.51 109.196 176.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.45 53.98 4.62 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.04 -0.824 . . . . 0.97 111.04 175.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -153.28 -36.8 0.1 Allowed 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 123.382 0.673 . . . . 3.52 109.707 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 73' ' ' GLU . 34.8 m -58.54 111.5 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-O 121.642 0.734 . . . . 0.5 111.79 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -73.32 -43.24 61.2 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-O 121.437 0.636 . . . . 1.88 110.174 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.605 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 36.5 p -109.57 145.63 32.34 Favored Pre-proline 0 N--CA 1.418 -2.057 0 CA-C-N 115.098 -0.955 . . . . 0.43 110.871 -177.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.82 -17.54 55.79 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.623 2.882 . . . . 0.34 112.447 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.511 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 20.3 ttm180 -62.87 -37.01 85.17 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.951 -1.129 . . . . 2.05 107.951 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.538 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 33.7 mt-10 -72.46 -36.56 68.52 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.876 -1.056 . . . . 2.23 110.324 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.89 -41.72 77.89 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.198 -1.038 . . . . 1.17 108.198 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' HB2' HD22 ' A' ' 10' ' ' LEU . 49.1 tp -60.26 -44.91 94.89 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.932 -0.766 . . . . 0.6 108.932 176.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.11 -39.78 83.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.596 -1.183 . . . . 0.89 111.587 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 81.5 mt -57.58 -51.35 69.84 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 109.912 -0.403 . . . . 1.06 109.912 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.565 HG21 ' HG ' ' A' ' 5' ' ' LEU . 42.6 mm -61.76 -59.41 4.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.859 -0.61 . . . . 0.62 110.807 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.56 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.6 m120 -56.5 -44.01 80.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.696 0.284 . . . . 1.45 111.234 -176.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.92 80.68 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 116.165 -0.47 . . . . 0.48 112.735 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.24 -36.67 79.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.809 0.304 . . . . 0.56 111.302 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.9 -19.56 65.18 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 112.247 0.462 . . . . 0.72 112.247 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.84 -22.62 59.7 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.067 0.461 . . . . 0.93 110.191 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -101.38 -21.55 14.8 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.527 0.679 . . . . 2.7 109.239 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.482 ' HB2' HG23 ' A' ' 58' ' ' VAL . . . -54.44 123.64 13.61 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-N 114.682 -1.144 . . . . 2.73 112.284 -178.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -1.989 0 N-CA-C 105.608 -1.997 . . . . 5.02 105.608 178.491 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 109.507 -0.553 . . . . 5.31 109.507 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.26 127.54 36.74 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 112.283 0.475 . . . . 1.46 112.283 -175.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t -91.54 106.14 18.27 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 106.554 -1.647 . . . . 1.7 106.554 173.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 79' ' ' ASN . 77.9 mt -93.36 132.44 37.58 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.775 -0.578 . . . . 1.02 111.028 -175.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 2.5 pt? -70.79 151.51 44.75 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-N 115.443 -0.799 . . . . 1.37 109.109 175.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.4 p -91.08 -170.69 2.74 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 116.442 -0.345 . . . . 0.88 110.156 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.2 m -67.06 -42.37 84.88 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 109.332 -0.618 . . . . 0.7 109.332 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.9 m-20 -67.32 -29.1 68.58 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.814 -0.63 . . . . 2.29 112.332 -177.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 21.3 m-20 -65.68 -41.58 92.27 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 120.785 -0.366 . . . . 1.83 110.293 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.747 HD22 ' HB2' ' A' ' 75' ' ' LEU . 52.6 tp -67.84 -44.55 76.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.87 -0.789 . . . . 0.75 108.87 176.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 73.9 ttt180 -49.68 -56.41 10.24 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.955 1.302 . . . . 2.88 111.698 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 41.0 mtt180 -60.6 -45.83 92.52 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.666 -0.494 . . . . 3.46 109.666 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.12 93.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.886 . . . . 0.63 112.986 -175.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.3 tp -71.11 -47.62 57.02 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 116.246 -0.434 . . . . 0.62 110.708 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.28 -31.72 55.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.452 0.644 . . . . 0.74 109.982 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -64.07 -25.52 68.14 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.353 -0.839 . . . . 2.04 110.244 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -73.68 -15.46 61.24 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.149 -0.478 . . . . 1.3 111.996 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.18 4.55 42.06 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.871 -0.789 . . . . 1.93 108.871 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.12 -110.69 4.02 Favored Glycine 0 N--CA 1.428 -1.851 0 N-CA-C 107.963 -2.055 . . . . 2.29 107.963 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -140.52 5.26 2.01 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 122.423 1.106 . . . . 5.38 108.163 172.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 p -94.39 72.53 3.82 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 115.212 -0.904 . . . . 6.11 112.99 -174.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.7 t70 63.31 108.43 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 125.412 1.485 . . . . 5.17 114.995 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.53 33.8 4.95 Favored Glycine 0 C--N 1.294 -1.804 0 N-CA-C 106.391 -2.684 . . . . 3.06 106.391 171.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 m 71.54 159.56 0.21 Allowed 'General case' 0 C--O 1.251 1.151 0 C-N-CA 125.427 1.491 . . . . 2.78 109.476 -173.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -77.21 91.81 3.78 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 106.886 -1.524 . . . . 2.9 106.886 172.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -99.15 82.45 2.72 Favored 'General case' 0 N--CA 1.398 -3.026 0 CA-C-N 113.907 -1.497 . . . . 1.38 108.075 -169.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.9 t -140.82 139.62 34.54 Favored 'General case' 0 C--N 1.287 -2.13 0 CA-C-N 115.92 -0.582 . . . . 1.8 110.217 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.02 -143.26 16.65 Favored Glycine 0 N--CA 1.428 -1.873 0 CA-C-N 115.634 -0.712 . . . . 1.82 111.789 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -87.6 74.91 9.15 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 122.687 1.232 . . . . 2.57 110.627 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -97.91 5.36 49.04 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 114.245 -1.343 . . . . 0.73 110.763 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.734 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.4 mm? -77.28 -22.11 52.58 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.136 -0.484 . . . . 1.26 110.55 -175.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.76 -22.47 29.61 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.627 0.579 . . . . 2.24 109.839 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.41 145.25 45.97 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 115.195 -0.911 . . . . 1.73 109.227 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -89.36 146.51 24.64 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 120.116 -0.634 . . . . 3.1 110.194 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 43.6 m-85 -62.42 -30.57 71.32 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.961 0.41 . . . . 0.43 110.627 177.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.34 -37.97 87.67 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.26 -0.882 . . . . 2.48 109.191 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -74.62 -24.15 58.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.386 -0.825 . . . . 2.01 111.355 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.413 HG12 ' HA ' ' A' ' 35' ' ' PHE . 33.5 pt -103.46 18.05 4.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.104 0.478 . . . . 0.65 111.891 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.75 22.54 70.13 Favored Glycine 0 CA--C 1.525 0.675 0 CA-C-N 115.785 -0.643 . . . . 0.55 114.658 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -89.72 145.31 25.3 Favored 'General case' 0 N--CA 1.428 -1.565 0 O-C-N 122.275 -0.544 . . . . 1.1 111.521 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.523 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.7 p30 -112.58 162.62 15.46 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.738 -1.119 . . . . 1.89 110.268 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -55.81 -37.44 68.65 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 125.263 1.425 . . . . 0.88 112.295 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.03 -46.51 84.13 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.166 -0.47 . . . . 1.7 109.812 -176.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.11 -30.7 71.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.175 -0.92 . . . . 0.46 111.257 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 58.8 mt -74.06 -43.24 58.51 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.22 -0.445 . . . . 0.31 110.203 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 68.2 mtm -66.42 -39.03 88.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.9 -0.591 . . . . 1.7 109.655 178.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -57.59 -35.26 70.18 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.386 1.074 . . . . 1.92 109.257 176.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.586 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 85.2 m -72.6 -58.74 3.13 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.041 -0.981 . . . . 0.43 110.715 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.88 -43.79 66.39 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 111.978 0.362 . . . . 0.29 111.978 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.6 66.63 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.289 0.848 . . . . 0.38 113.289 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.586 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.6 ptp180 -84.53 -23.43 29.77 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.675 0.75 . . . . 2.54 109.944 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.402 HD13 HG13 ' A' ' 78' ' ' ILE . 97.1 mt -77.54 -33.43 54.16 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.663 -0.698 . . . . 0.4 109.869 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -55.75 -53.4 57.05 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.189 -0.914 . . . . 0.64 111.792 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.4 p -67.33 -27.85 67.48 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.628 -0.715 . . . . 1.33 111.938 -176.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -82.44 -45.51 14.68 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 120.509 -0.476 . . . . 3.79 111.746 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -97.63 4.93 50.03 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 114.592 1.33 . . . . 1.17 114.592 -174.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.18 58.35 8.17 Favored Glycine 0 C--N 1.315 -0.629 0 C-N-CA 120.693 -0.765 . . . . 0.91 112.6 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.97 147.46 21.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 N-CA-C 108.486 -0.931 . . . . 1.17 108.486 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 t -118.59 113.29 21.02 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.891 -0.781 . . . . 1.6 108.891 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.515 HD12 HD13 ' A' ' 78' ' ' ILE . 72.8 mt -130.33 130.21 22.98 Favored Pre-proline 0 C--N 1.303 -1.422 0 N-CA-C 108.337 -0.986 . . . . 0.95 108.337 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -57.31 120.34 8.19 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.959 1.772 . . . . 0.69 110.039 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 46' ' ' MET . 7.8 p-10 -61.4 -23.92 66.14 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 112.179 0.437 . . . . 2.19 112.179 -175.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -57.95 -29.3 65.07 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 120.921 0.391 . . . . 2.48 111.754 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.7 t -68.89 -28.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.274 0.559 . . . . 0.56 110.313 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.92 -9.85 58.97 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-N 115.957 -0.565 . . . . 0.51 110.346 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.41 18.55 57.28 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.698 -0.961 . . . . 0.97 110.698 176.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -131.6 2.22 4.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.383 0.611 . . . . 3.52 109.4 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 m -85.54 126.64 40.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.463 0.649 . . . . 0.5 110.08 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -92.01 -39.38 11.69 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.27 -0.877 . . . . 1.88 110.656 -172.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 36.7 p -119.42 153.06 53.62 Favored Pre-proline 0 C--N 1.309 -1.177 0 CA-C-N 115.459 -0.792 . . . . 0.43 109.575 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.441 ' HG3' ' CE1' ' A' ' 35' ' ' PHE . 46.7 Cg_exo -59.56 -23.33 70.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 123.092 2.528 . . . . 0.34 112.323 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.734 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 42.7 ttm180 -60.63 -41.34 94.68 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 109.777 -0.453 . . . . 2.05 109.777 178.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 45.2 mt-10 -69.26 -38.69 78.53 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 123.341 0.401 . . . . 2.23 110.886 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.7 -42.24 95.44 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.232 -1.025 . . . . 1.17 108.232 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.747 ' HB2' HD22 ' A' ' 10' ' ' LEU . 46.0 tp -66.76 -43.03 85.18 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.455 -0.793 . . . . 0.6 109.579 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.25 -34.33 77.44 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 114.772 -1.104 . . . . 0.89 111.303 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 66.8 mt -57.48 -51.23 70.31 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.937 0.399 . . . . 1.06 110.01 175.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.515 HD13 HD12 ' A' ' 60' ' ' ILE . 31.3 mm -67.71 -57.07 10.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.47 -0.786 . . . . 0.62 109.139 -178.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.486 ' ND2' ' HG ' ' A' ' 75' ' ' LEU . 89.1 m-20 -51.5 -49.24 62.25 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 123.433 0.458 . . . . 1.45 111.768 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.26 -47.35 88.68 Favored Glycine 0 CA--C 1.499 -0.945 0 CA-C-N 115.942 -0.572 . . . . 0.48 113.072 -176.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.19 85.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.965 0.412 . . . . 0.56 110.953 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.69 -47.66 65.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.946 -0.57 . . . . 0.72 110.791 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.17 -29.51 70.35 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.326 0.584 . . . . 0.93 111.091 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.36 -35.66 81.12 Favored 'General case' 0 C--N 1.313 -1.01 0 C-N-CA 123.806 0.842 . . . . 2.7 110.672 177.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.22 10.97 29.58 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.279 0.561 . . . . 2.73 111.296 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.075 0 N-CA-C 109.369 -0.604 . . . . 5.02 109.369 179.217 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 CA--C 1.498 -1.049 0 N-CA-C 109.559 -0.534 . . . . 5.31 109.559 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.432 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -74.98 153.49 38.51 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.456 -0.572 . . . . 1.46 109.456 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m -71.25 110.69 6.05 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 115.845 -0.616 . . . . 1.7 109.421 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.8 mt -60.13 120.68 10.2 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 108.746 -0.835 . . . . 1.02 108.746 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 4.5 pp -82.2 153.34 26.0 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 116.057 -0.52 . . . . 1.37 110.314 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.8 p -113.42 -168.62 1.36 Allowed 'General case' 0 N--CA 1.426 -1.634 0 N-CA-C 112.176 0.436 . . . . 0.88 112.176 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.5 m -48.96 -54.87 13.74 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 125.289 1.436 . . . . 0.7 112.452 -177.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.475 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 19.6 m-20 -70.44 -27.64 64.41 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.708 0.633 . . . . 2.29 112.708 -175.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 15.9 m-20 -63.85 -50.15 69.99 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 108.934 -0.765 . . . . 1.83 108.934 175.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.69 -46.09 91.17 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 114.956 -1.02 . . . . 0.75 109.044 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.648 ' HG3' ' HB2' ' A' ' 26' ' ' LEU . 69.0 ttt180 -45.97 -60.61 2.16 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.203 1.401 . . . . 2.88 112.126 177.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 99.3 mtt180 -59.46 -45.75 90.74 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.275 -0.421 . . . . 3.46 111.483 -176.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 16' ' ' GLU . . . -67.69 -35.95 79.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.591 -0.731 . . . . 0.63 111.15 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.514 HD13 HG21 ' A' ' 48' ' ' THR . 60.0 tp -74.66 -27.96 60.64 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 115.801 -0.636 . . . . 0.62 111.28 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 11' ' ' ARG . 85.5 t -68.95 -36.33 73.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.534 -0.913 . . . . 0.74 108.534 173.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 55.1 mt-10 -60.65 -43.99 96.93 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.027 -0.988 . . . . 2.04 112.339 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.5 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 17.7 m -57.66 -30.49 65.48 Favored 'General case' 0 C--O 1.247 0.935 0 C-N-CA 123.042 0.537 . . . . 1.3 111.748 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 22' ' ' ASP . . . -93.26 -65.68 0.98 Allowed 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 109.605 -0.517 . . . . 1.93 109.605 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.21 -35.19 1.3 Allowed Glycine 0 CA--C 1.528 0.877 0 N-CA-C 114.574 0.59 . . . . 2.29 114.574 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -129.87 104.03 7.14 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 113.444 0.905 . . . . 5.38 113.444 -175.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 m 68.13 8.35 6.48 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 125.608 1.563 . . . . 6.11 114.371 172.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 62.0 m-20 -131.54 2.97 4.18 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.543 -0.723 . . . . 5.17 110.236 175.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.7 86.28 1.55 Allowed Glycine 0 N--CA 1.424 -2.107 0 N-CA-C 107.161 -2.376 . . . . 3.06 107.161 174.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 p -73.71 -171.14 0.98 Allowed 'General case' 0 C--N 1.29 -1.994 0 C-N-CA 123.964 0.906 . . . . 2.78 113.183 -174.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.04 -59.37 2.78 Favored 'General case' 0 CA--C 1.502 -0.881 0 N-CA-C 110.3 -0.259 . . . . 2.9 110.3 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.648 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 71.3 mt 61.73 21.83 12.5 Favored 'General case' 0 C--O 1.247 0.939 0 C-N-CA 123.963 0.905 . . . . 1.38 111.266 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 p -81.11 121.16 25.75 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 115.451 -0.795 . . . . 1.8 111.472 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.41 -104.73 2.36 Favored Glycine 0 N--CA 1.43 -1.741 0 N-CA-C 110.238 -1.145 . . . . 1.82 110.238 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -137.19 122.98 19.98 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.79 -1.189 . . . . 2.57 107.79 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.791 ' HA ' HD13 ' A' ' 33' ' ' LEU . 48.8 p90 -124.77 13.39 8.58 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.755 -0.657 . . . . 0.73 109.951 -177.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.635 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 3.2 mm? -69.88 -18.51 63.41 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 112.936 0.717 . . . . 1.26 112.936 -172.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' HB2' HH22 ' A' ' 72' ' ' ARG . 18.5 t70 -97.84 -10.25 25.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.296 0.569 . . . . 2.24 110.665 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.791 HD13 ' HA ' ' A' ' 30' ' ' PHE . 8.0 mp -77.93 108.55 11.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.333 -0.394 . . . . 1.73 110.621 -177.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -57.04 141.62 45.07 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 115.781 -0.645 . . . . 3.1 111.917 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.506 ' HA ' HG12 ' A' ' 38' ' ' ILE . 59.5 m-85 -62.74 -34.71 77.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.476 -0.784 . . . . 0.43 111.661 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.59 -38.23 74.52 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.267 0.556 . . . . 2.48 110.389 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -75.24 -37.81 60.86 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.462 -0.79 . . . . 2.01 111.09 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.506 HG12 ' HA ' ' A' ' 35' ' ' PHE . 37.1 pt -88.66 21.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 112.624 0.601 . . . . 0.65 112.624 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.49 32.99 85.14 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 115.848 -0.614 . . . . 0.55 114.42 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.5 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 1.1 m-85 -102.01 146.12 28.34 Favored 'General case' 0 N--CA 1.416 -2.173 0 N-CA-C 113.67 0.989 . . . . 1.1 113.67 -178.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.556 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 23.0 m-20 -107.58 160.37 15.73 Favored 'General case' 0 CA--C 1.482 -1.639 0 CA-C-N 114.332 -1.304 . . . . 1.89 109.344 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 m -66.74 -37.2 84.19 Favored 'General case' 0 C--N 1.289 -2.037 0 CA-C-N 115.692 -0.686 . . . . 0.88 111.274 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.434 HD13 ' SD ' ' A' ' 46' ' ' MET . 3.9 mm? -68.25 -28.71 67.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.657 0.741 . . . . 1.7 109.707 176.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.54 -25.19 49.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.268 -0.878 . . . . 0.46 109.699 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 84.7 mt -73.9 -36.26 64.75 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 116.049 -0.523 . . . . 0.31 110.021 176.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.434 ' SD ' HD13 ' A' ' 43' ' ' LEU . 57.8 mtt -64.45 -41.13 96.72 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.615 -0.883 . . . . 1.7 108.615 175.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -60.06 -32.1 70.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.23 1.012 . . . . 1.92 110.408 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.541 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 85.2 m -78.48 -45.54 21.84 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.608 -0.724 . . . . 0.43 110.665 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -64.62 -46.61 81.89 Favored 'General case' 0 C--N 1.312 -1.022 0 O-C-N 122.261 -0.274 . . . . 0.29 111.026 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.69 -37.01 70.29 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.488 0.921 . . . . 0.38 113.488 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.541 ' HD2' ' HA ' ' A' ' 48' ' ' THR . 3.6 ptm85 -67.87 -30.26 69.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.529 0.681 . . . . 2.54 109.974 -178.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.427 HD22 HD22 ' A' ' 5' ' ' LEU . 72.9 mt -83.79 -36.03 23.85 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.444 -0.798 . . . . 0.4 109.266 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 43.6 mt-10 -57.48 -54.34 47.97 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.363 -0.835 . . . . 0.64 109.914 176.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.6 t -61.66 -22.82 65.63 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.863 -1.062 . . . . 1.33 111.139 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -85.61 -54.37 4.59 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 120.796 -0.362 . . . . 3.79 111.678 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.454 ' CE2' HD23 ' A' ' 5' ' ' LEU . 92.1 m-85 -101.05 -12.86 18.52 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 115.003 1.483 . . . . 1.17 115.003 -171.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.87 35.7 8.94 Favored Glycine 0 C--N 1.315 -0.618 0 C-N-CA 119.998 -1.096 . . . . 0.91 113.068 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.516 ' HB ' HD21 ' A' ' 82' ' ' LEU . 3.7 p -102.29 134.42 43.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 107.665 -1.235 . . . . 1.17 107.665 176.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.7 p -102.17 109.91 21.74 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 118.539 0.609 . . . . 1.6 111.17 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.9 mt -118.52 108.26 41.76 Favored Pre-proline 0 C--N 1.305 -1.328 0 N-CA-C 110.002 -0.37 . . . . 0.95 110.002 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.478 ' HD2' HG21 ' A' ' 64' ' ' VAL . 50.9 Cg_exo -57.58 154.01 38.94 Favored 'Trans proline' 0 C--O 1.253 1.246 0 C-N-CA 122.578 2.186 . . . . 0.69 111.479 176.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -59.69 -42.11 92.22 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.552 -0.749 . . . . 2.19 110.563 -175.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -55.29 -45.7 76.22 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 115.753 -0.658 . . . . 2.48 110.89 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.478 HG21 ' HD2' ' A' ' 61' ' ' PRO . 53.6 t -59.91 -58.86 5.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.222 -0.899 . . . . 0.56 109.91 -178.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -59.08 -33.77 71.2 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.442 -0.799 . . . . 0.51 112.069 -177.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.89 -7.09 88.96 Favored Glycine 0 C--N 1.316 -0.53 0 C-N-CA 120.6 -0.809 . . . . 0.97 113.663 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -106.14 -0.25 24.83 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 113.642 0.979 . . . . 3.52 113.642 -177.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 65' ' ' ALA . 27.8 m -79.33 131.92 33.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 C-N-CA 120.082 -0.647 . . . . 0.5 110.601 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -95.69 -39.6 9.8 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.459 0.647 . . . . 1.88 110.542 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 34.6 p -116.46 146.59 37.8 Favored Pre-proline 0 C--N 1.297 -1.683 0 CA-C-N 115.62 -0.718 . . . . 0.43 110.686 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.635 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 51.4 Cg_exo -58.21 -24.84 69.12 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.529 2.819 . . . . 0.34 112.562 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.437 HH22 ' HB2' ' A' ' 32' ' ' ASP . 44.4 ttm180 -56.8 -39.08 73.49 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.538 0.735 . . . . 2.05 109.778 176.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.622 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 38.3 mt-10 -70.81 -43.89 67.68 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.296 -0.865 . . . . 2.23 110.551 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.37 -43.97 92.84 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.426 -0.953 . . . . 1.17 108.426 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.25 -39.51 94.8 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.705 -0.68 . . . . 0.6 109.905 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.59 -38.42 90.95 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.424 -0.807 . . . . 0.89 110.823 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 97.6 mt -57.74 -46.08 84.97 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.192 0.597 . . . . 1.06 109.994 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.434 HG21 ' HG ' ' A' ' 5' ' ' LEU . 49.8 mm -65.45 -62.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 114.972 -1.013 . . . . 0.62 109.445 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -52.82 -47.04 67.94 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.655 -0.702 . . . . 1.45 112.161 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.62 -47.07 92.04 Favored Glycine 0 N--CA 1.446 -0.65 0 O-C-N 123.442 0.464 . . . . 0.48 113.452 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB3' HG23 ' A' ' 58' ' ' VAL . . . -72.03 -36.81 69.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.046 0.45 . . . . 0.56 111.597 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.516 HD21 ' HB ' ' A' ' 58' ' ' VAL . 84.4 mt -74.75 -17.58 60.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.406 -0.361 . . . . 0.72 111.043 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.95 -20.89 60.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.454 0.645 . . . . 0.93 109.655 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -86.72 -68.27 0.76 Allowed 'General case' 0 N--CA 1.436 -1.17 0 N-CA-C 108.488 -0.93 . . . . 2.7 108.488 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 170.07 -63.35 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 125.907 1.683 . . . . 2.73 106.497 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.617 0 N-CA-C 106.522 -1.658 . . . . 5.02 106.522 178.79 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 ttp . . . . . 0 C--O 1.239 0.549 0 CA-C-O 120.556 0.217 . . . . 5.31 110.469 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.75 139.1 58.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 116.128 -0.487 . . . . 1.46 111.221 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.2 p -78.31 107.29 10.82 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-N 115.493 -0.776 . . . . 1.7 109.543 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 79' ' ' ASN . 22.9 mt -63.42 119.81 10.44 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.038 -1.097 . . . . 1.02 108.038 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' HG ' ' OD1' ' A' ' 79' ' ' ASN . 4.4 pp -62.9 140.23 58.8 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 123.629 0.581 . . . . 1.37 110.56 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -85.1 -174.91 5.51 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 116.132 -0.486 . . . . 0.88 110.683 -177.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -68.03 -32.26 72.5 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 108.835 -0.802 . . . . 0.7 108.835 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.95 -42.84 76.12 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.564 -0.744 . . . . 2.29 110.181 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.472 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 30.2 m-20 -63.98 -43.65 95.09 Favored 'General case' 0 CA--C 1.495 -1.16 0 CA-C-N 115.82 -0.627 . . . . 1.83 110.448 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.715 HD22 ' HB2' ' A' ' 75' ' ' LEU . 59.2 tp -62.35 -46.64 87.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.573 -0.74 . . . . 0.75 109.523 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.0 ttp180 -53.95 -56.95 13.11 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.445 -0.798 . . . . 2.88 111.669 179.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -58.93 -34.45 71.75 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.71 0.633 . . . . 3.46 112.71 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HB1' ' HD2' ' A' ' 51' ' ' ARG . . . -76.24 -34.46 59.2 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.18 0.514 . . . . 0.63 111.623 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.498 HD23 HD21 ' A' ' 26' ' ' LEU . 55.0 tp -79.73 -32.87 41.18 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 120.958 0.409 . . . . 0.62 109.989 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 11' ' ' ARG . 88.9 t -67.91 -29.86 46.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 109.249 -0.649 . . . . 0.74 109.249 174.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -57.32 -53.22 60.57 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.44 0.696 . . . . 2.04 110.431 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.589 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 5.1 m -68.14 -35.85 78.75 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.973 0.416 . . . . 1.3 110.262 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.92 -19.76 65.98 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 123.673 0.789 . . . . 1.93 112.933 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.96 -32.01 82.75 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.141 -0.552 . . . . 2.29 113.323 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -96.7 9.73 40.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.303 0.573 . . . . 5.38 110.354 -178.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -143.89 -145.89 0.18 Allowed 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.518 -0.919 . . . . 6.11 108.518 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -94.39 165.11 12.73 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.403 -0.592 . . . . 5.17 109.403 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.61 -147.4 5.46 Favored Glycine 0 N--CA 1.402 -3.596 0 N-CA-C 108.329 -1.908 . . . . 3.06 108.329 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.9 t 178.08 -156.53 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 107.725 -1.213 . . . . 2.78 107.725 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -82.3 107.51 15.04 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 106.419 -1.697 . . . . 2.9 106.419 175.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.498 HD21 HD23 ' A' ' 14' ' ' LEU . 22.1 tp -111.8 26.34 10.72 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-O 121.717 0.77 . . . . 1.38 109.781 -171.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.4 t -105.97 159.29 16.16 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.239 -1.023 . . . . 1.8 108.239 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.79 -115.21 4.01 Favored Glycine 0 N--CA 1.439 -1.1 0 C-N-CA 120.484 -0.865 . . . . 1.82 113.322 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -104.34 117.44 34.2 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 109.736 -0.468 . . . . 2.57 109.736 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -156.83 8.49 0.19 Allowed 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 120.36 -0.536 . . . . 0.73 112.414 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.723 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.9 mm? -78.73 -21.37 48.13 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.278 -0.569 . . . . 1.26 111.902 -173.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -102.73 -7.31 21.79 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-O 121.477 0.656 . . . . 2.24 110.902 -177.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt -75.91 133.15 40.59 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.457 -0.942 . . . . 1.73 108.457 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -75.74 150.86 37.73 Favored 'General case' 0 C--N 1.298 -1.674 0 C-N-CA 120.844 -0.343 . . . . 3.1 110.765 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.466 ' HD1' HD11 ' A' ' 38' ' ' ILE . 59.0 m-85 -65.41 -26.76 68.13 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.497 -0.32 . . . . 0.43 111.11 177.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.13 -34.61 73.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.214 0.53 . . . . 2.48 109.937 175.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.27 -41.27 66.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.084 0.469 . . . . 2.01 110.626 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.466 HD11 ' HD1' ' A' ' 35' ' ' PHE . 31.8 pt -85.16 3.41 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.32 0.581 . . . . 0.65 111.87 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.32 47.24 72.66 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.319 -0.855 . . . . 0.55 113.122 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.589 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 0.2 OUTLIER -99.3 142.47 30.75 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 110.072 -0.344 . . . . 1.1 110.072 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -95.09 162.86 13.54 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.209 -1.034 . . . . 1.89 108.209 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.487 ' O ' ' HG3' ' A' ' 46' ' ' MET . 14.0 m -70.58 -36.89 73.82 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 122.925 0.49 . . . . 0.88 110.619 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.9 -30.73 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.899 -0.778 . . . . 1.7 108.899 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.1 -37.03 83.22 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.103 -0.953 . . . . 0.46 109.761 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.99 -40.44 83.09 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 116.016 -0.538 . . . . 0.31 110.059 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.531 ' SD ' ' HB3' ' A' ' 62' ' ' ASP . 64.7 mtt -63.86 -35.37 80.4 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.441 -0.8 . . . . 1.7 110.537 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.36 -41.91 69.13 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 109.247 -0.649 . . . . 1.92 109.247 176.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.558 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 89.9 m -60.48 -47.43 86.18 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.445 -0.798 . . . . 0.43 110.547 178.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.39 85.49 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.023 0.44 . . . . 0.29 110.273 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.89 87.0 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 115.805 -0.634 . . . . 0.38 112.652 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.8 ptp180 -67.3 -31.08 71.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.046 -0.661 . . . . 2.54 109.331 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 78' ' ' ILE . 99.0 mt -72.64 -34.04 67.03 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.286 -0.87 . . . . 0.4 110.191 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.501 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 45.2 mt-10 -59.11 -53.76 54.72 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.972 -0.751 . . . . 0.64 108.972 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 t -65.55 -23.85 66.96 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 113.989 -1.459 . . . . 1.33 111.425 -175.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -89.73 -53.44 4.51 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.305 -0.407 . . . . 3.79 111.799 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -90.14 -16.7 29.05 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 114.027 1.121 . . . . 1.17 114.027 -171.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.24 68.9 1.21 Allowed Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.007 -1.092 . . . . 0.91 112.711 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.548 ' HB ' HD23 ' A' ' 82' ' ' LEU . 9.6 p -153.61 168.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.524 -1.287 . . . . 1.17 107.524 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.501 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 52.8 m -137.0 115.54 11.95 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-O 121.337 0.589 . . . . 1.6 109.525 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.6 HD12 HD13 ' A' ' 78' ' ' ILE . 71.9 mt -131.32 121.49 18.54 Favored Pre-proline 0 C--N 1.308 -1.205 0 CA-C-N 115.333 -0.848 . . . . 0.95 109.332 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.402 ' HB2' HG23 ' A' ' 64' ' ' VAL . 72.2 Cg_exo -55.91 141.9 85.18 Favored 'Trans proline' 0 C--O 1.244 0.782 0 C-N-CA 123.239 2.626 . . . . 0.69 112.661 178.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.531 ' HB3' ' SD ' ' A' ' 46' ' ' MET . 4.7 m-20 -53.27 -42.88 66.98 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.013 0.925 . . . . 2.19 111.232 -178.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -61.46 -16.77 50.31 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.107 0.78 . . . . 2.48 113.107 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' A' ' 61' ' ' PRO . 47.4 t -78.81 -32.07 15.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.671 0.748 . . . . 0.56 109.507 178.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.95 -1.56 29.29 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.532 -0.758 . . . . 0.51 110.955 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.8 -7.13 81.78 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 110.886 -0.886 . . . . 0.97 110.886 176.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 48.5 mtm105 -105.24 -0.9 25.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.301 0.482 . . . . 3.52 112.301 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m -91.77 104.44 15.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 108.588 -0.893 . . . . 0.5 108.588 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -85.06 -30.18 24.31 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.334 -0.848 . . . . 1.88 111.769 -174.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.413 ' OG1' ' HG2' ' A' ' 73' ' ' GLU . 43.8 p -124.41 154.21 69.25 Favored Pre-proline 0 N--CA 1.433 -1.297 0 N-CA-C 109.201 -0.666 . . . . 0.43 109.201 178.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.63 -27.06 81.67 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 123.424 2.749 . . . . 0.34 113.528 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.723 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 35.6 ttm105 -59.41 -43.67 92.96 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 109.455 -0.572 . . . . 2.05 109.455 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.413 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 11.1 mm-40 -67.42 -40.54 85.54 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 114.48 -1.236 . . . . 2.23 109.639 -177.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.69 -43.63 96.08 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.571 -0.9 . . . . 1.17 108.571 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.715 ' HB2' HD22 ' A' ' 10' ' ' LEU . 5.0 tt -59.13 -51.13 71.36 Favored 'General case' 0 C--O 1.246 0.89 0 N-CA-C 108.495 -0.928 . . . . 0.6 108.495 178.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.6 -38.69 91.13 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.298 -1.319 . . . . 0.89 111.187 -177.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.49 -50.11 74.92 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 123.136 0.575 . . . . 1.06 111.262 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.6 HD13 HD12 ' A' ' 60' ' ' ILE . 47.8 mm -65.26 -60.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.243 -0.435 . . . . 0.62 110.527 -178.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.54 ' HB3' HD22 ' A' ' 4' ' ' LEU . 80.4 m-20 -63.63 -34.56 78.1 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 112.434 0.531 . . . . 1.45 112.434 -175.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 84' ' ' GLU . . . -60.7 -41.35 98.96 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 111.273 -0.731 . . . . 0.48 111.273 178.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.28 -35.6 66.18 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 123.774 0.338 . . . . 0.56 110.393 178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.548 HD23 ' HB ' ' A' ' 58' ' ' VAL . 89.7 mt -58.46 -43.15 88.75 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.378 0.609 . . . . 0.72 110.914 176.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.01 -2.92 58.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.677 -0.692 . . . . 0.93 111.22 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 80' ' ' GLY . 9.7 tp10 -94.13 -56.44 2.85 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.919 -0.771 . . . . 2.7 108.919 -178.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.27 -48.12 68.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.324 -0.853 . . . . 2.73 110.983 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.263 0 CA-C-N 115.85 -0.614 . . . . 5.02 109.67 -179.29 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 112.533 0.568 . . . . 5.31 112.533 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.3 149.67 24.09 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-O 121.012 0.435 . . . . 1.46 111.147 -172.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 t -78.93 107.5 11.71 Favored 'General case' 0 N--CA 1.415 -2.223 0 CA-C-N 115.192 -0.913 . . . . 1.7 108.837 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.42 125.04 25.48 Favored 'General case' 0 N--CA 1.425 -1.712 0 N-CA-C 108.097 -1.075 . . . . 1.02 108.097 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.4 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 2.1 pt? -64.44 142.48 58.41 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.757 -0.656 . . . . 1.37 110.067 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.5 p -88.39 -170.86 3.12 Favored 'General case' 0 N--CA 1.411 -2.378 0 CA-C-N 116.184 -0.462 . . . . 0.88 110.002 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -71.38 -13.51 61.88 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.115 0.483 . . . . 0.7 110.953 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.91 -49.08 76.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 123.747 0.819 . . . . 2.29 110.294 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.523 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 14.2 m-20 -69.2 -38.34 78.57 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 115.679 -0.691 . . . . 1.83 110.401 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.542 HD22 ' HB2' ' A' ' 75' ' ' LEU . 40.8 tp -60.76 -47.09 87.86 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.148 -0.686 . . . . 0.75 109.148 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -54.78 -61.71 2.13 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.531 1.132 . . . . 2.88 110.762 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 14.6 ptm180 -59.75 -35.8 75.32 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 112.172 0.434 . . . . 3.46 112.172 -176.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.518 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . . . -71.44 -40.75 70.19 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.223 0.535 . . . . 0.63 111.319 -178.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.6 tp -72.72 -39.36 67.01 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.933 -0.576 . . . . 0.62 110.499 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.1 t -63.94 -44.14 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.973 -0.751 . . . . 0.74 108.973 175.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 35.7 tt0 -62.57 -19.31 63.57 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.564 0.746 . . . . 2.04 111.93 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.7 m -75.19 -5.51 44.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.203 0.525 . . . . 1.3 110.935 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.56 -34.25 3.09 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.739 -0.837 . . . . 1.93 108.739 173.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.41 -80.23 1.83 Allowed Glycine 0 CA--C 1.496 -1.141 0 N-CA-C 109.388 -1.485 . . . . 2.29 109.388 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -109.39 167.97 9.73 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 107.148 -1.427 . . . . 5.38 107.148 173.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p 52.36 61.89 2.97 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.977 0.894 . . . . 6.11 111.391 -175.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -71.74 -170.68 0.58 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.841 -1.072 . . . . 5.17 111.833 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.62 -127.25 0.06 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 114.437 0.535 . . . . 3.06 114.437 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 t -152.13 108.8 3.47 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.928 -0.767 . . . . 2.78 108.928 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 63.02 34.81 13.61 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.504 1.122 . . . . 2.9 109.221 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 tp -82.1 32.88 0.38 Allowed 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 114.825 -1.08 . . . . 1.38 111.137 -173.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.8 m -147.81 109.16 4.32 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.552 -0.907 . . . . 1.8 108.552 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.06 -130.62 6.72 Favored Glycine 0 N--CA 1.433 -1.506 0 N-CA-C 109.56 -1.416 . . . . 1.82 109.56 -175.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -89.39 98.49 11.79 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 122.058 0.932 . . . . 2.57 109.746 176.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.911 ' HA ' HD13 ' A' ' 33' ' ' LEU . 54.3 p90 -134.27 14.64 3.82 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.141 -0.936 . . . . 0.73 111.142 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.52 ' O ' ' HB ' ' A' ' 70' ' ' THR . 5.6 mp -67.79 -26.56 66.15 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.208 0.818 . . . . 1.26 113.208 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -101.15 -0.93 35.18 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.644 0.735 . . . . 2.24 110.952 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.911 HD13 ' HA ' ' A' ' 30' ' ' PHE . 9.8 mp -77.81 99.54 5.96 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.577 -0.527 . . . . 1.73 109.577 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -51.03 140.17 16.25 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.63 0.772 . . . . 3.1 111.911 -178.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.587 ' HA ' HG12 ' A' ' 38' ' ' ILE . 64.7 m-85 -64.22 -31.63 72.91 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.156 -0.475 . . . . 0.43 109.752 177.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.38 -24.82 68.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.816 -1.083 . . . . 2.48 110.226 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -88.84 -36.7 15.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.107 -0.497 . . . . 2.01 110.665 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.587 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.7 pt -86.13 4.81 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.642 0.608 . . . . 0.65 112.642 -178.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.67 25.2 54.22 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.249 -0.5 . . . . 0.55 114.116 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.43 136.41 39.41 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 122.326 -0.514 . . . . 1.1 111.138 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.674 ' HA ' H312 ' A' ' 87' ' ' PNS . 7.1 m-20 -89.35 145.99 24.98 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.76 -1.2 . . . . 1.89 107.76 177.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.901 ' H ' H281 ' A' ' 87' ' ' PNS . 14.7 m -63.18 -20.5 65.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.532 0.682 . . . . 0.88 111.128 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 tt -72.08 -33.45 67.91 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.497 -0.927 . . . . 1.7 108.497 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.76 -28.24 58.38 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.044 0.449 . . . . 0.46 109.979 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 42' ' ' SER . 80.8 mt -64.32 -30.89 71.93 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 115.407 -0.815 . . . . 0.31 110.316 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.529 ' SD ' ' HB3' ' A' ' 62' ' ' ASP . 58.9 mtt -62.95 -37.95 89.1 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.716 -1.129 . . . . 1.7 109.172 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -72.32 -35.58 68.66 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.934 -0.765 . . . . 1.92 108.934 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.568 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 22.1 m -59.51 -52.71 64.39 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.548 -0.751 . . . . 0.43 109.206 176.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.15 90.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.172 -0.467 . . . . 0.29 110.833 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.635 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -55.58 -42.85 75.33 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.237 0.615 . . . . 0.38 112.361 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' A' ' 48' ' ' THR . 8.6 ptp180 -72.26 -27.96 62.82 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.102 -0.639 . . . . 2.54 110.286 -178.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.605 ' HA ' ' HB3' ' A' ' 55' ' ' ARG . 95.4 mt -75.18 -26.78 59.32 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.271 -0.422 . . . . 0.4 110.892 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.635 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 47.2 mt-10 -58.38 -50.31 74.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.64 109.929 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -77.39 -23.76 50.65 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.699 -0.682 . . . . 1.33 110.971 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.605 ' HB3' ' HA ' ' A' ' 52' ' ' LEU . 29.5 tpt180 -68.96 -42.89 76.03 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.228 0.611 . . . . 3.79 111.015 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.417 ' CD1' ' HG3' ' A' ' 55' ' ' ARG . 61.5 m-85 -117.21 3.11 12.64 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.004 1.483 . . . . 1.17 115.004 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.17 57.89 4.97 Favored Glycine 0 C--N 1.311 -0.819 0 C-N-CA 120.333 -0.937 . . . . 0.91 112.025 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.2 p -141.02 173.8 8.63 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 N-CA-C 107.973 -1.121 . . . . 1.17 107.973 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.9 m -138.38 126.22 22.42 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 123.112 0.565 . . . . 1.6 109.607 175.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.643 HD12 HD13 ' A' ' 78' ' ' ILE . 57.5 mt -134.56 120.59 14.66 Favored Pre-proline 0 C--N 1.305 -1.348 0 N-CA-C 109.294 -0.632 . . . . 0.95 109.294 -178.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.452 ' HB2' HG23 ' A' ' 64' ' ' VAL . 51.6 Cg_exo -56.46 146.05 76.38 Favored 'Trans proline' 0 C--O 1.251 1.163 0 C-N-CA 123.457 2.771 . . . . 0.69 113.228 -178.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.529 ' HB3' ' SD ' ' A' ' 46' ' ' MET . 7.6 m-20 -56.07 -44.87 79.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.89 -1.05 . . . . 2.19 110.187 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.583 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 6.2 t70 -52.94 -42.68 65.67 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.828 -0.623 . . . . 2.48 112.143 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' A' ' 61' ' ' PRO . 90.4 t -62.57 -51.2 75.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 C-N-CA 123.195 0.598 . . . . 0.56 110.297 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -64.76 -30.63 71.64 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.639 -0.71 . . . . 0.51 110.983 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.03 26.2 4.42 Favored Glycine 0 C--N 1.314 -0.684 0 C-N-CA 121.361 -0.447 . . . . 0.97 113.235 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 95.8 mtt180 -128.96 -12.06 4.73 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.373 -0.487 . . . . 3.52 110.897 177.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 65' ' ' ALA . 22.1 m -75.64 120.21 25.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 113.005 0.743 . . . . 0.5 113.005 -173.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.38 -54.0 24.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.45 -1.25 . . . . 1.88 111.598 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 59.6 p -122.81 160.84 47.29 Favored Pre-proline 0 N--CA 1.436 -1.166 0 CA-C-N 115.395 -0.82 . . . . 0.43 110.305 -174.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.76 -24.77 73.09 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 123.46 2.773 . . . . 0.34 112.61 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.492 ' HA ' ' HG ' ' A' ' 31' ' ' LEU . 31.0 ttm105 -58.52 -44.82 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.844 -0.799 . . . . 2.05 108.844 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 7.7 mm-40 -68.16 -38.29 81.92 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 114.793 -1.094 . . . . 2.23 109.716 -176.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.33 -44.22 79.63 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.537 -0.912 . . . . 1.17 108.537 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.542 ' HB2' HD22 ' A' ' 10' ' ' LEU . 50.0 tp -61.55 -42.21 98.49 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.307 -0.627 . . . . 0.6 109.307 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.54 -37.35 75.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.495 -1.23 . . . . 0.89 111.164 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 87.9 mt -59.95 -50.75 72.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.099 0.476 . . . . 1.06 110.382 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.643 HD13 HD12 ' A' ' 60' ' ' ILE . 21.1 mm -66.66 -46.99 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.009 -0.737 . . . . 0.62 109.009 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -54.71 -51.3 66.0 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.935 -0.575 . . . . 1.45 111.223 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.76 -47.8 88.04 Favored Glycine 0 N--CA 1.449 -0.464 0 O-C-N 123.694 0.621 . . . . 0.48 112.694 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.81 80.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.875 0.369 . . . . 0.56 111.898 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.2 mt -79.14 -24.34 43.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.487 -0.324 . . . . 0.72 111.545 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.47 -47.54 14.16 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.87 0.367 . . . . 0.93 110.681 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.81 -26.73 59.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.16 -0.473 . . . . 2.7 110.344 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 69.64 88.34 0.11 Allowed 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 124.863 1.265 . . . . 2.73 110.415 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.692 0 CA-C-N 115.329 -0.851 . . . . 5.02 108.863 178.093 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PNS . . . . . 0.901 H281 ' H ' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.493 ' SD ' ' HB2' ' A' ' 86' ' ' ALA . 49.6 ttm . . . . . 0 C--O 1.239 0.503 0 N-CA-C 109.287 -0.634 . . . . 5.31 109.287 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.57 159.98 22.6 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.175 -1.046 . . . . 1.46 108.175 178.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 t -90.63 106.22 18.35 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 122.159 0.98 . . . . 1.7 110.111 -176.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.688 HD22 ' HA ' ' A' ' 79' ' ' ASN . 81.3 mt -79.95 155.53 27.65 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.772 -0.649 . . . . 1.02 109.49 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.631 ' HG ' HG21 ' A' ' 78' ' ' ILE . 77.8 mt -76.05 144.71 40.62 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 110.019 -0.363 . . . . 1.37 110.019 -178.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 p -84.87 -177.72 6.65 Favored 'General case' 0 N--CA 1.414 -2.253 0 N-CA-C 108.342 -0.984 . . . . 0.88 108.342 170.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.48 HG23 HD21 ' A' ' 31' ' ' LEU . 26.1 m -69.76 -47.41 63.08 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.263 -1.014 . . . . 0.7 108.263 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.559 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 2.1 p-10 -68.4 -33.32 74.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.565 -0.743 . . . . 2.29 111.624 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.8 -45.54 81.98 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.757 -0.46 . . . . 1.83 109.757 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.565 HD22 ' HB2' ' A' ' 75' ' ' LEU . 61.6 tp -61.8 -44.94 95.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.309 -0.86 . . . . 0.75 109.539 177.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.569 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.9 ttm180 -53.25 -55.24 26.09 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 115.331 -0.849 . . . . 2.88 110.702 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 42.1 mtp85 -61.64 -42.31 98.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.04 -0.527 . . . . 3.46 111.255 -176.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.81 98.65 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.597 0.713 . . . . 0.63 110.67 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.593 HD13 HG21 ' A' ' 48' ' ' THR . 62.6 tp -75.28 -19.25 59.8 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.208 -0.906 . . . . 0.62 111.442 -178.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 11' ' ' ARG . 60.6 t -77.36 -54.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.609 -1.256 . . . . 0.74 107.609 172.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' OE2' ' HB3' ' A' ' 20' ' ' GLU . 61.2 mm-40 -56.77 -20.02 20.06 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.069 1.137 . . . . 2.04 114.069 -176.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.1 m -63.34 -48.91 76.02 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 109.748 -0.464 . . . . 1.3 109.748 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.42 -29.0 26.49 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.752 -0.462 . . . . 1.93 109.752 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.81 146.17 5.69 Favored Glycine 0 N--CA 1.433 -1.5 0 N-CA-C 110.571 -1.012 . . . . 2.29 110.571 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HB3' ' OE2' ' A' ' 16' ' ' GLU . 8.1 pt-20 -55.73 99.14 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.963 0.887 . . . . 5.38 112.819 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.0 m 67.5 16.25 9.93 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 122.327 1.06 . . . . 6.11 110.518 -177.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -89.93 -27.85 19.56 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 108.383 -0.969 . . . . 5.17 108.383 176.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.68 -75.92 0.82 Allowed Glycine 0 N--CA 1.438 -1.225 0 CA-C-N 114.848 -1.069 . . . . 3.06 111.465 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.6 t -169.01 -169.14 0.93 Allowed 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 106.45 -1.685 . . . . 2.78 106.45 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -88.13 97.49 11.02 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 107.909 -1.145 . . . . 2.9 107.909 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.565 ' HB3' HG22 ' A' ' 15' ' ' VAL . 45.0 tp -105.49 79.11 1.42 Allowed 'General case' 0 N--CA 1.414 -2.228 0 N-CA-C 108.364 -0.976 . . . . 1.38 108.364 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.8 t -141.81 166.11 25.62 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.018 -1.104 . . . . 1.8 108.018 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.92 -154.51 41.46 Favored Glycine 0 N--CA 1.433 -1.512 0 N-CA-C 111.045 -0.822 . . . . 1.82 111.045 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -76.98 108.93 10.4 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 109.043 -0.725 . . . . 2.57 109.043 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -117.32 -6.05 11.28 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 113.322 0.86 . . . . 0.73 113.322 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.48 HD21 HG23 ' A' ' 7' ' ' THR . 3.2 mm? -69.46 -27.63 65.4 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 120.582 -0.447 . . . . 1.26 110.772 -176.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -96.47 9.53 41.07 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.492 -0.777 . . . . 2.24 111.367 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.8 mt -102.14 133.25 47.28 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.69 -1.226 . . . . 1.73 107.69 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -78.53 164.29 24.83 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.234 -0.654 . . . . 3.1 109.234 -177.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' HA ' HG12 ' A' ' 38' ' ' ILE . 68.1 m-85 -73.7 -27.78 61.39 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.97 -1.122 . . . . 0.43 107.97 175.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.82 -22.8 67.09 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.68 -1.146 . . . . 2.48 110.357 172.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -82.02 -42.66 19.01 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 116.108 -0.496 . . . . 2.01 110.619 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.488 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.2 pt -93.79 11.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 113.926 1.084 . . . . 0.65 113.926 -174.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.48 49.98 47.1 Favored Glycine 0 C--N 1.313 -0.748 0 C-N-CA 121.336 -0.459 . . . . 0.55 113.287 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -125.75 128.37 47.63 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 120.886 0.374 . . . . 1.1 111.329 179.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.506 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.0 m-20 -87.41 165.09 15.83 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.188 -0.671 . . . . 1.89 109.188 175.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.473 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 3.4 m -66.35 -28.89 69.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.067 0.937 . . . . 0.88 109.003 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.446 ' HA ' ' HE2' ' A' ' 46' ' ' MET . 81.7 mt -58.72 -49.47 77.47 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.131 -1.395 . . . . 1.7 110.273 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.86 -26.9 66.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.577 -0.738 . . . . 0.46 111.144 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 79.8 mt -67.19 -31.42 71.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.987 0.422 . . . . 0.31 111.21 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.557 ' SD ' ' HB2' ' A' ' 62' ' ' ASP . 55.8 mtm -69.13 -30.57 68.86 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.669 -0.493 . . . . 1.7 109.669 178.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.84 -44.48 66.37 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.279 -1.008 . . . . 1.92 108.279 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.593 HG21 HD13 ' A' ' 14' ' ' LEU . 60.0 m -59.14 -41.84 89.23 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.916 -0.584 . . . . 0.43 110.647 176.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -68.08 -40.54 82.67 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.458 -0.497 . . . . 0.29 110.61 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.84 -41.82 83.12 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.174 0.59 . . . . 0.38 112.418 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -68.31 -25.72 65.27 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.047 0.451 . . . . 2.54 110.974 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -83.4 -40.37 19.44 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 116.038 -0.528 . . . . 0.4 110.053 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 44.0 mt-10 -53.42 -59.02 5.12 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.292 0.637 . . . . 0.64 110.631 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 p -64.2 -28.85 70.03 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.156 -0.929 . . . . 1.33 112.802 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -85.69 -32.37 21.98 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 112.045 0.387 . . . . 3.79 112.045 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -107.99 -5.11 17.27 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 114.422 1.268 . . . . 1.17 114.422 -174.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.33 55.18 4.08 Favored Glycine 0 C--O 1.247 0.968 0 C-N-CA 120.978 -0.63 . . . . 0.91 112.682 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.0 p -154.2 175.17 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 107.547 -1.279 . . . . 1.17 107.547 -177.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -139.88 144.64 37.31 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-N 118.898 0.772 . . . . 1.6 110.131 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.493 HD11 HD13 ' A' ' 78' ' ' ILE . 69.8 mt -127.64 122.83 22.76 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 107.75 -1.204 . . . . 0.95 107.75 178.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.568 ' HB2' HG23 ' A' ' 64' ' ' VAL . 31.2 Cg_exo -60.05 140.72 93.97 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 122.542 2.161 . . . . 0.69 112.0 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.557 ' HB2' ' SD ' ' A' ' 46' ' ' MET . 4.6 p-10 -60.77 -34.42 74.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.267 -0.424 . . . . 2.19 111.641 -177.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -67.5 -20.21 65.42 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.038 0.447 . . . . 2.48 111.343 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.568 HG23 ' HB2' ' A' ' 61' ' ' PRO . 84.7 t -86.16 -53.33 10.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.287 0 CA-C-N 115.443 -0.799 . . . . 0.56 109.339 178.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.49 82.6 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.43 -0.804 . . . . 0.51 111.066 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 42' ' ' SER . . . -88.28 32.76 4.29 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.905 -0.664 . . . . 0.97 111.795 177.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 64' ' ' VAL . 59.3 ttt180 -137.32 -19.48 1.25 Allowed 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.388 0.675 . . . . 3.52 110.593 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 77' ' ' LEU . 28.5 m -68.84 131.17 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-O 121.663 0.744 . . . . 0.5 111.186 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -93.17 -38.33 11.63 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 114.725 -1.125 . . . . 1.88 111.327 -175.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.5 p -125.78 153.54 73.28 Favored Pre-proline 0 C--N 1.304 -1.411 0 CA-C-N 115.832 -0.622 . . . . 0.43 110.138 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.55 -20.42 70.64 Favored 'Trans proline' 0 C--N 1.367 1.549 0 C-N-CA 123.634 2.89 . . . . 0.34 112.268 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.5 -38.55 77.92 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.579 -0.737 . . . . 2.05 109.973 176.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.582 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.2 mt-10 -73.12 -42.06 63.31 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-N 115.216 -0.902 . . . . 2.23 110.005 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.98 -41.34 91.82 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 108.478 -0.934 . . . . 1.17 108.478 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.565 ' HB2' HD22 ' A' ' 10' ' ' LEU . 57.9 tp -64.07 -45.01 90.65 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.72 -0.673 . . . . 0.6 109.664 176.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -57.39 -41.0 79.41 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.43 -0.804 . . . . 0.89 111.901 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 65.5 mt -55.08 -42.29 72.65 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 123.695 0.622 . . . . 1.06 110.001 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.631 HG21 ' HG ' ' A' ' 5' ' ' LEU . 44.7 mm -73.39 -54.11 16.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 CA-C-N 115.443 -0.799 . . . . 0.62 109.788 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.688 ' HA ' HD22 ' A' ' 4' ' ' LEU . 93.6 m-20 -52.19 -51.51 57.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.545 0.572 . . . . 1.45 112.545 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.24 -44.15 91.47 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.55 -0.357 . . . . 0.48 112.359 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.08 86.56 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.872 0.367 . . . . 0.56 111.685 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.2 mt -77.04 -14.32 59.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.004 0.372 . . . . 0.72 112.004 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.3 -18.0 60.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.832 0.825 . . . . 0.93 108.974 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -100.92 4.84 42.98 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.034 -0.985 . . . . 2.7 109.116 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -111.71 145.48 39.22 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.981 -0.554 . . . . 2.73 111.164 -176.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.493 ' HB2' ' SD ' ' A' ' 1' ' ' MET . . . . . . . . 0 N--CA 1.428 -1.554 0 N-CA-C 107.307 -1.368 . . . . 5.02 107.307 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 ttp . . . . . 0 C--O 1.24 0.594 0 N-CA-C 108.951 -0.759 . . . . 5.31 108.951 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 82' ' ' LEU . . . -58.62 134.94 57.21 Favored 'General case' 0 C--O 1.247 0.937 0 CA-C-O 121.447 0.641 . . . . 1.46 111.945 -178.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.2 m -80.92 106.88 13.26 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.915 -1.038 . . . . 1.7 110.177 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.6 mt -76.09 123.22 25.45 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 107.953 -1.128 . . . . 1.02 107.953 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.502 HD22 HD22 ' A' ' 52' ' ' LEU . 4.7 pp -79.52 152.67 30.05 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 120.992 -0.283 . . . . 1.37 111.434 -175.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p -83.77 -179.42 7.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.257 0.551 . . . . 0.88 111.583 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.7 m -81.19 -13.45 58.58 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 122.098 0.952 . . . . 0.7 108.783 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -79.48 -37.46 36.78 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 107.848 -1.167 . . . . 2.29 107.848 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.526 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 33.5 m-20 -65.52 -44.28 87.41 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.442 -0.799 . . . . 1.83 109.535 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.569 HD22 ' HB2' ' A' ' 75' ' ' LEU . 61.9 tp -54.93 -45.7 74.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.616 -0.72 . . . . 0.75 109.97 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -61.56 -59.67 4.87 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.465 -0.789 . . . . 2.88 111.184 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.526 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 16.2 ptm180 -54.49 -38.99 67.1 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.457 0.54 . . . . 3.46 112.457 -176.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.599 ' HB1' ' HD2' ' A' ' 51' ' ' ARG . . . -65.17 -51.98 57.76 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.343 0.592 . . . . 0.63 110.608 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD23 HD21 ' A' ' 26' ' ' LEU . 38.0 tp -63.84 -42.73 97.53 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.792 -1.094 . . . . 0.62 110.801 -176.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 22' ' ' ASP . 74.8 t -59.77 -42.42 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.688 -0.687 . . . . 0.74 110.167 177.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.42 -35.23 65.8 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.585 -0.446 . . . . 2.04 110.617 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.609 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 74.5 m -68.13 -17.11 64.27 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 120.923 0.392 . . . . 1.3 111.862 176.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.581 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . . . -76.42 -43.49 40.07 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.72 -1.215 . . . . 1.93 107.72 172.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.56 -122.88 7.49 Favored Glycine 0 N--CA 1.426 -2.007 0 N-CA-C 110.769 -0.932 . . . . 2.29 110.769 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -83.87 -4.68 58.86 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.224 0.535 . . . . 5.38 112.133 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 p -90.19 44.22 1.19 Allowed 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 122.629 1.204 . . . . 6.11 110.27 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.535 ' HB2' HG13 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -88.15 155.24 19.88 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 114.314 -1.312 . . . . 5.17 108.543 -178.563 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.02 101.62 1.93 Allowed Glycine 0 N--CA 1.427 -1.9 0 C-N-CA 120.192 -1.004 . . . . 3.06 113.037 174.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.407 HG23 ' HB2' ' A' ' 26' ' ' LEU . 11.3 t -171.98 -179.01 2.28 Favored 'General case' 0 C--N 1.287 -2.147 0 N-CA-C 104.108 -2.553 . . . . 2.78 104.108 177.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -82.61 89.69 6.73 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 119.278 0.945 . . . . 2.9 108.78 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.489 HD21 HD23 ' A' ' 14' ' ' LEU . 22.4 tp -130.91 24.25 4.98 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.334 -1.358 . . . . 1.38 107.334 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.1 t -128.39 138.35 52.3 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 107.297 -1.372 . . . . 1.8 107.297 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.6 -117.08 5.01 Favored Glycine 0 N--CA 1.44 -1.072 0 N-CA-C 110.373 -1.091 . . . . 1.82 110.373 -177.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -89.72 92.41 9.05 Favored 'General case' 0 CA--C 1.49 -1.353 0 CA-C-O 121.043 0.449 . . . . 2.57 110.49 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -134.14 13.42 3.9 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.246 -0.65 . . . . 0.73 109.246 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.65 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.2 mm? -72.38 -33.3 67.12 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.917 -0.583 . . . . 1.26 112.228 -173.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.566 ' HB3' HH22 ' A' ' 72' ' ' ARG . 4.1 p30 -103.27 5.4 37.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.664 0.268 . . . . 2.24 111.188 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.7 tp -73.17 108.61 6.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.124 -1.065 . . . . 1.73 108.124 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 35.0 mtm180 -69.49 131.28 44.48 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-O 120.957 0.408 . . . . 3.1 111.493 -174.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -55.0 -34.84 63.76 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.025 -0.989 . . . . 0.43 111.611 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.91 -38.69 70.57 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 123.813 0.696 . . . . 2.48 110.935 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.29 -39.71 62.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.034 -0.53 . . . . 2.01 110.985 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -88.04 21.65 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 113.294 0.85 . . . . 0.65 113.294 -176.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.08 13.15 79.49 Favored Glycine 0 C--O 1.239 0.407 0 CA-C-N 115.84 -0.618 . . . . 0.55 114.609 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.581 ' OH ' ' HB2' ' A' ' 18' ' ' ALA . 6.3 m-85 -86.34 121.7 29.27 Favored 'General case' 0 N--CA 1.428 -1.525 0 CA-C-N 117.245 0.522 . . . . 1.1 111.544 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -85.95 149.21 25.36 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.518 -1.29 . . . . 1.89 107.518 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.497 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 14.4 m -60.43 -20.7 60.73 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.058 0.456 . . . . 0.88 111.912 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.13 -38.88 89.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.28 0.562 . . . . 1.7 109.634 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.32 -21.44 60.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.686 -0.688 . . . . 0.46 110.193 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.497 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 55.0 mt -73.49 -33.43 64.81 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.338 -0.616 . . . . 0.31 109.338 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 63.6 mtt -65.08 -44.29 89.37 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 107.957 -1.127 . . . . 1.7 107.957 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.609 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 12.1 tp10 -57.61 -34.5 69.34 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.001 0.92 . . . . 1.92 110.551 175.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.489 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 64.6 m -68.5 -55.86 10.33 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.902 -0.59 . . . . 0.43 109.958 177.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -61.6 -36.2 80.03 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.527 -0.306 . . . . 0.29 111.758 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -52.87 -45.49 67.47 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 123.967 0.907 . . . . 0.38 113.049 -178.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.599 ' HD2' ' HB1' ' A' ' 13' ' ' ALA . 10.0 ptp180 -69.24 -30.8 69.01 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.436 -0.506 . . . . 2.54 110.397 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.502 HD22 HD22 ' A' ' 5' ' ' LEU . 90.4 mt -75.73 -35.57 60.2 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.831 -0.622 . . . . 0.4 109.541 -178.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.545 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.4 mt-10 -57.84 -55.6 32.8 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.771 -0.825 . . . . 0.64 108.771 174.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.2 t -62.4 -34.81 77.46 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 114.965 -1.016 . . . . 1.33 112.517 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -77.34 -32.24 55.04 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.934 -0.706 . . . . 3.79 112.179 -176.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -107.47 -12.72 15.24 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.253 1.205 . . . . 1.17 114.253 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.92 65.5 1.7 Allowed Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.497 -0.859 . . . . 0.91 111.765 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 53' ' ' GLU . 8.3 p -146.24 168.71 6.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 N-CA-C 107.922 -1.14 . . . . 1.17 107.922 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 p -134.88 125.31 26.5 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 118.386 0.539 . . . . 1.6 110.054 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.842 HD12 HD13 ' A' ' 78' ' ' ILE . 54.8 mt -130.37 121.83 19.64 Favored Pre-proline 0 C--N 1.302 -1.47 0 CA-C-N 116.39 -0.368 . . . . 0.95 110.016 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HB2' HG23 ' A' ' 64' ' ' VAL . 51.4 Cg_exo -56.23 151.64 42.65 Favored 'Trans proline' 0 C--O 1.25 1.091 0 C-N-CA 123.516 2.811 . . . . 0.69 114.007 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.81 -54.79 33.41 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 126.23 1.812 . . . . 2.19 110.341 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -60.13 -27.26 66.91 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.785 -1.098 . . . . 2.48 112.171 -175.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.562 HG12 HD13 ' A' ' 77' ' ' LEU . 85.2 t -71.78 -58.69 4.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 109.396 -0.594 . . . . 0.56 109.396 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.74 -38.42 85.08 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.756 -0.657 . . . . 0.51 110.251 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.43 42.23 3.01 Favored Glycine 0 N--CA 1.436 -1.363 0 CA-C-N 115.712 -0.677 . . . . 0.97 112.326 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -134.53 -32.53 1.02 Allowed 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 122.688 0.395 . . . . 3.52 110.847 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.6 m -62.54 134.66 27.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 112.859 0.689 . . . . 0.5 112.859 -176.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 6.6 m-20 -93.18 -33.6 13.94 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 108.391 -0.966 . . . . 1.88 108.391 179.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.541 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 38.8 p -113.9 141.88 26.91 Favored Pre-proline 0 N--CA 1.436 -1.134 0 CA-C-N 115.048 -0.978 . . . . 0.43 111.671 -175.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 70' ' ' THR . 52.9 Cg_exo -61.03 -24.17 78.97 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.593 2.862 . . . . 0.34 111.83 178.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.65 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.7 ttm180 -59.17 -39.99 84.23 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.004 -0.544 . . . . 2.05 109.57 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.606 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.4 mm-40 -77.49 -33.45 54.48 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 115.92 -0.582 . . . . 2.23 110.925 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.66 -40.79 96.05 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.512 -0.921 . . . . 1.17 108.512 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HB2' HD22 ' A' ' 10' ' ' LEU . 46.5 tp -60.28 -45.92 91.63 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.871 0.843 . . . . 0.6 108.956 174.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.87 -36.92 85.92 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.247 -1.342 . . . . 0.89 111.835 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 87.1 mt -59.23 -52.38 65.92 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 110.265 -0.272 . . . . 1.06 110.265 177.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.842 HD13 HD12 ' A' ' 60' ' ' ILE . 41.3 mm -64.35 -63.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.333 -0.849 . . . . 0.62 110.056 -178.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.03 -34.51 73.48 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 122.946 0.498 . . . . 1.45 112.135 -175.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -39.67 90.24 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.155 -0.778 . . . . 0.48 111.155 177.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.45 -26.27 60.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.216 0.531 . . . . 0.56 110.142 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 78' ' ' ILE . 96.8 mt -70.83 -37.97 73.22 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.452 -0.573 . . . . 0.72 109.452 174.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.95 -14.4 62.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.644 0.735 . . . . 0.93 110.708 176.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -80.9 -15.73 55.51 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.525 0.678 . . . . 2.7 109.387 176.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.35 133.31 34.53 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 109.659 -0.497 . . . . 2.73 109.659 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.912 0 N-CA-C 107.263 -1.384 . . . . 5.02 107.263 178.801 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 CA--C 1.512 -0.515 0 N-CA-C 109.323 -0.621 . . . . 5.31 109.323 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 82' ' ' LEU . . . -157.0 138.44 13.91 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 110.205 -0.294 . . . . 1.46 110.205 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.406 HG23 ' HD1' ' A' ' 56' ' ' TYR . 5.6 t -111.15 104.75 13.3 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.579 -1.267 . . . . 1.7 107.579 174.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 pp -97.64 158.92 15.24 Favored 'General case' 0 N--CA 1.412 -2.347 0 CA-C-N 115.371 -0.831 . . . . 1.02 109.537 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.701 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 4.0 pp -104.58 148.92 25.98 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 112.189 0.44 . . . . 1.37 112.189 -175.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.6 p -96.46 -170.14 2.03 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 115.43 -0.804 . . . . 0.88 110.813 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.401 HG23 HD21 ' A' ' 31' ' ' LEU . 26.2 m -55.52 -54.51 43.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.685 0.794 . . . . 0.7 109.887 178.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -62.99 -32.22 73.51 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 113.568 0.951 . . . . 2.29 113.568 -179.19 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 49.6 m-20 -69.77 -42.04 74.34 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.384 -0.526 . . . . 1.83 109.623 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 75' ' ' LEU . 62.3 tp -65.23 -42.89 92.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.913 -0.773 . . . . 0.75 108.913 176.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 15' ' ' VAL . 56.3 ttt180 -49.64 -61.12 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.75 1.22 . . . . 2.88 111.249 176.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' HE ' ' HA ' ' A' ' 9' ' ' ASP . 17.4 ptt180 -65.11 -27.93 69.09 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.799 0.666 . . . . 3.46 112.799 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.419 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -72.99 -38.21 66.71 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.175 -0.466 . . . . 0.63 110.599 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.46 -40.07 67.29 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.959 -0.564 . . . . 0.62 109.529 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 11' ' ' ARG . 97.2 t -57.71 -35.2 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-O 121.44 0.638 . . . . 0.74 109.526 175.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -69.58 -35.15 75.08 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.996 -1.002 . . . . 2.04 110.531 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.7 m -63.81 -44.3 93.67 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.399 -0.364 . . . . 1.3 110.949 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.56 -43.3 73.19 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.575 -0.528 . . . . 1.93 109.575 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.78 -75.28 1.48 Allowed Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.084 -0.962 . . . . 2.29 113.414 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -76.74 94.06 3.77 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.124 0.488 . . . . 5.38 111.719 -174.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.3 p 47.13 79.52 0.06 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.818 1.647 . . . . 6.11 115.081 173.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -129.93 143.96 51.07 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 121.199 0.523 . . . . 5.17 110.609 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.08 44.56 0.19 Allowed Glycine 0 N--CA 1.42 -2.433 0 N-CA-C 108.608 -1.797 . . . . 3.06 108.608 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -84.49 81.59 8.78 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.605 0.717 . . . . 2.78 111.348 -173.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 78.81 6.25 2.3 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.552 1.141 . . . . 2.9 112.757 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.82 -19.73 63.46 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.974 0.416 . . . . 1.38 111.544 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.2 m -75.37 120.46 20.85 Favored 'General case' 0 N--CA 1.427 -1.597 0 CA-C-N 115.931 -0.577 . . . . 1.8 109.891 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.27 -130.81 10.36 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 120.698 -0.763 . . . . 1.82 112.417 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -101.96 106.31 17.21 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.892 -0.781 . . . . 2.57 108.892 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' HA ' HD12 ' A' ' 33' ' ' LEU . 24.5 p90 -120.04 16.62 12.49 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 116.16 -0.473 . . . . 0.73 110.964 -177.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.5 mm? -77.67 -30.24 51.91 Favored 'General case' 0 C--N 1.312 -1.031 0 O-C-N 122.083 -0.385 . . . . 1.26 110.686 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.12 -5.17 56.8 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.415 -0.811 . . . . 2.24 109.403 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 30' ' ' PHE . 81.1 mt -92.26 97.99 11.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 115.452 -0.794 . . . . 1.73 109.366 -177.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -59.08 151.95 21.26 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 115.198 -0.91 . . . . 3.1 111.736 -177.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.607 ' HA ' HG12 ' A' ' 38' ' ' ILE . 84.0 m-85 -63.6 -25.67 68.34 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.264 -0.88 . . . . 0.43 111.701 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.88 -23.23 67.17 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.636 -0.711 . . . . 2.48 111.567 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -83.47 -43.91 15.3 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 109.408 -0.59 . . . . 2.01 109.408 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.607 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -82.6 17.08 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 113.502 0.927 . . . . 0.65 113.502 -175.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.65 22.37 75.2 Favored Glycine 0 C--O 1.242 0.64 0 N-CA-C 114.446 0.538 . . . . 0.55 114.446 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -88.88 143.21 27.04 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.656 0.984 . . . . 1.1 113.656 -176.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -99.56 152.21 20.29 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.538 -1.653 . . . . 1.89 106.538 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.556 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 43.2 m -67.08 -24.37 65.95 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.257 0.551 . . . . 0.88 111.263 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.7 -27.01 65.57 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.822 0.82 . . . . 1.7 109.557 176.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 47' ' ' GLU . . . -81.64 -18.49 44.43 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.125 -0.943 . . . . 0.46 109.964 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.556 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 35.6 mt -74.71 -34.97 62.7 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.809 -0.811 . . . . 0.31 108.809 177.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtp -63.72 -42.17 97.97 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 114.898 -1.046 . . . . 1.7 108.981 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 14.2 tp10 -55.22 -45.04 75.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.823 0.849 . . . . 1.92 109.789 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.6 m -64.29 -58.03 7.7 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.058 -0.974 . . . . 0.43 110.953 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.437 ' HB2' HD21 ' A' ' 74' ' ' LEU . . . -61.81 -34.18 75.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.351 0.5 . . . . 0.29 112.351 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.22 71.6 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 123.107 0.563 . . . . 0.38 112.331 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -73.87 -28.66 61.68 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.028 -0.669 . . . . 2.54 109.712 -178.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.419 HD21 ' CB ' ' A' ' 13' ' ' ALA . 75.2 mt -72.58 -40.56 66.49 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.418 -0.81 . . . . 0.4 109.509 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.5 mt-10 -57.75 -49.04 77.91 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.693 -0.685 . . . . 0.64 109.569 175.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 m -62.76 -43.6 98.38 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.338 -1.301 . . . . 1.33 112.037 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -83.65 -37.83 22.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.713 0.635 . . . . 3.79 112.713 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.406 ' HD1' HG23 ' A' ' 3' ' ' THR . 85.5 m-85 -97.76 -10.51 24.73 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.177 0.806 . . . . 1.17 113.177 -173.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.21 58.54 2.3 Favored Glycine 0 CA--C 1.508 -0.387 0 C-N-CA 121.071 -0.585 . . . . 0.91 113.339 174.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.496 ' HB ' HD21 ' A' ' 82' ' ' LEU . 11.9 p -142.4 169.69 12.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 108.768 -0.826 . . . . 1.17 108.768 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.9 m -128.59 124.37 35.7 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.323 -0.621 . . . . 1.6 109.323 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.466 HD11 HD13 ' A' ' 78' ' ' ILE . 67.0 mt -124.77 111.71 27.39 Favored Pre-proline 0 C--N 1.306 -1.311 0 N-CA-C 109.313 -0.625 . . . . 0.95 109.313 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.582 ' HB2' HG23 ' A' ' 64' ' ' VAL . 54.6 Cg_exo -53.91 145.27 52.17 Favored 'Trans proline' 0 C--O 1.252 1.203 0 C-N-CA 122.761 2.307 . . . . 0.69 112.103 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -57.08 -37.28 71.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.452 1.101 . . . . 2.19 112.426 -175.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -69.81 -31.61 69.6 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 123.285 0.634 . . . . 2.48 111.096 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.582 HG23 ' HB2' ' A' ' 61' ' ' PRO . 58.8 t -71.12 -58.87 4.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 N-CA-C 109.031 -0.729 . . . . 0.56 109.031 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.94 70.45 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.001 -1.0 . . . . 0.51 111.078 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.51 31.44 5.48 Favored Glycine 0 N--CA 1.433 -1.521 0 C-N-CA 120.636 -0.792 . . . . 0.97 113.205 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -140.33 12.34 2.37 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 117.69 0.745 . . . . 3.52 110.598 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.5 HG21 HD23 ' A' ' 74' ' ' LEU . 19.0 m -94.97 105.59 17.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 O-C-N 121.346 -0.847 . . . . 0.5 111.103 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.49 -43.66 93.45 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.693 0.627 . . . . 1.88 112.693 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.1 p -107.19 143.74 27.75 Favored Pre-proline 0 C--N 1.306 -1.325 0 C-N-CA 120.708 -0.397 . . . . 0.43 110.23 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 54.3 Cg_exo -57.86 -26.87 76.14 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.476 2.784 . . . . 0.34 112.182 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.501 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 45.1 ttm180 -61.23 -36.7 80.66 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.817 -0.629 . . . . 2.05 110.644 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 14.1 mm-40 -65.27 -37.42 87.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.53 -0.305 . . . . 2.23 111.251 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.5 HD23 HG21 ' A' ' 68' ' ' VAL . 2.2 tm? -73.61 -40.89 63.49 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 108.194 -1.039 . . . . 1.17 108.194 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.56 ' HB2' HD22 ' A' ' 10' ' ' LEU . 58.7 tp -58.23 -55.92 28.78 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.888 0.875 . . . . 0.6 109.881 176.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.01 -34.35 77.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.659 -1.155 . . . . 0.89 111.201 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 73' ' ' GLU . 2.4 tt -55.11 -53.31 57.55 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.575 -1.268 . . . . 1.06 107.575 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.532 HG21 ' HG ' ' A' ' 5' ' ' LEU . 45.7 mm -58.29 -58.91 4.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.112 -0.949 . . . . 0.62 109.614 178.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -51.87 -54.99 22.81 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.082 0.864 . . . . 1.45 111.462 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.34 -46.73 92.13 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.707 -0.679 . . . . 0.48 113.439 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.29 94.55 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 117.029 0.414 . . . . 0.56 111.039 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.609 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 95.8 mt -70.4 -41.95 72.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.629 -0.714 . . . . 0.72 111.696 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.43 -37.19 84.64 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 120.575 0.226 . . . . 0.93 111.375 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -65.12 -48.95 71.81 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 109.477 -0.564 . . . . 2.7 109.477 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 57.8 103.44 0.02 OUTLIER 'General case' 0 C--O 1.238 0.483 0 C-N-CA 124.933 1.293 . . . . 2.73 113.115 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.666 0 N-CA-C 108.231 -1.025 . . . . 5.02 108.231 178.684 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.691 HG23 ' HD1' ' A' ' 56' ' ' TYR . 9.2 t . . . . . 0 N--CA 1.438 -1.048 0 N-CA-C 107.687 -1.227 . . . . 1.7 107.687 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.592 HD22 ' HA ' ' A' ' 79' ' ' ASN . 78.8 mt -91.16 127.75 36.71 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.734 -0.604 . . . . 1.02 111.021 -174.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.493 HD22 HG21 ' A' ' 78' ' ' ILE . 2.2 pt? -68.97 141.64 54.88 Favored 'General case' 0 C--O 1.251 1.148 0 N-CA-C 108.448 -0.945 . . . . 1.37 108.448 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.1 p -96.82 -170.48 2.06 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 116.066 -0.515 . . . . 0.88 110.978 -176.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.2 m -57.65 -53.92 52.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.856 -0.794 . . . . 0.7 108.856 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.76 -41.52 74.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.957 -1.02 . . . . 2.29 112.627 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -64.57 -47.87 77.11 Favored 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 123.573 0.546 . . . . 1.83 110.368 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.628 HD22 ' HB2' ' A' ' 75' ' ' LEU . 41.4 tp -61.89 -45.0 95.64 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.234 -0.654 . . . . 0.75 109.234 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -52.37 -59.93 3.83 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.752 0.821 . . . . 2.88 111.392 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -60.27 -43.05 96.52 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.98 -0.555 . . . . 3.46 112.0 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.85 86.96 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.182 -0.463 . . . . 0.63 110.935 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' OH ' ' A' ' 40' ' ' TYR . 37.5 tp -67.66 -30.82 70.46 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.473 -0.33 . . . . 0.62 111.757 -176.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t -72.78 -37.64 55.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.084 -0.71 . . . . 0.74 109.084 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.53 -35.66 76.53 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.295 -0.866 . . . . 2.04 111.463 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' HH12 ' A' ' 51' ' ' ARG . 2.7 p . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 113.23 0.826 . . . . 1.3 113.23 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 p90 . . . . . 0 CA--C 1.514 -0.421 0 CA-C-O 121.717 0.77 . . . . 0.73 109.506 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.9 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 2.8 mm? -72.96 -11.86 60.73 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.462 -0.79 . . . . 1.26 112.161 -173.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -94.47 0.4 55.33 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 120.908 0.385 . . . . 2.24 110.575 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -78.73 169.96 17.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.864 -1.162 . . . . 1.73 107.864 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HD2' ' OD2' ' A' ' 69' ' ' ASP . 31.7 mtm180 -124.88 147.6 48.72 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.082 -1.047 . . . . 3.1 111.335 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.49 ' HA ' HG12 ' A' ' 38' ' ' ILE . 44.2 m-85 -65.58 -35.95 82.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.937 -0.574 . . . . 0.43 111.273 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.7 -36.76 84.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.963 0.887 . . . . 2.48 109.088 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.62 -37.44 65.39 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.151 -0.931 . . . . 2.01 110.56 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.49 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.1 pt -88.18 14.51 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 111.879 0.326 . . . . 0.65 111.879 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.88 44.15 96.52 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 116.011 -0.54 . . . . 0.55 114.32 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.442 ' OH ' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -103.77 136.94 42.52 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.527 0.679 . . . . 1.1 111.345 179.139 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 12.6 m-20 -82.52 146.54 29.17 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 114.812 -1.085 . . . . 1.89 108.234 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 64.4 m -67.86 -28.53 67.62 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.278 0.561 . . . . 0.88 110.428 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.0 mt -60.88 -38.55 86.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.367 -0.833 . . . . 1.7 108.784 172.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.18 -28.65 62.33 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.011 -0.995 . . . . 0.46 110.329 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.473 HD13 HG23 ' A' ' 68' ' ' VAL . 74.9 mt -70.0 -40.07 75.51 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.318 -0.623 . . . . 0.31 109.318 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 84.2 mtp -61.63 -43.4 98.93 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.421 -0.809 . . . . 1.7 109.19 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.56 -44.08 97.69 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.716 -0.674 . . . . 1.92 110.503 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.436 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 94.6 m -58.06 -52.34 65.93 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 115.537 -0.756 . . . . 0.43 109.505 175.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.43 -43.74 96.47 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.84 -0.618 . . . . 0.29 111.394 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.62 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -53.83 -37.78 63.95 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.756 0.822 . . . . 0.38 112.179 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.53 HH12 ' HB3' ' A' ' 17' ' ' SER . 29.7 ttp180 -68.06 -40.35 82.8 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.763 0.792 . . . . 2.54 110.523 178.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.2 mt -77.14 -28.6 54.3 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.385 -0.825 . . . . 0.4 110.915 -176.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.62 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 52.7 mt-10 -56.13 -59.21 5.25 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 123.51 0.506 . . . . 0.64 110.693 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.1 t -66.62 -34.57 78.18 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.038 -0.983 . . . . 1.33 110.534 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -70.78 -45.52 64.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.57 0.581 . . . . 3.79 112.57 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.691 ' HD1' HG23 ' A' ' 3' ' ' THR . 92.8 m-85 -104.28 -13.86 16.01 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 114.743 1.386 . . . . 1.17 114.743 -173.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.47 49.15 2.84 Favored Glycine 0 C--N 1.302 -1.326 0 C-N-CA 119.667 -1.254 . . . . 0.91 112.721 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 31.1 m -131.74 170.99 18.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 N-CA-C 108.957 -0.757 . . . . 1.17 108.957 177.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.2 p -143.11 119.86 11.18 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 108.654 -0.869 . . . . 1.6 108.654 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.53 HD11 HD13 ' A' ' 78' ' ' ILE . 71.8 mt -112.07 114.34 51.34 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.676 -0.49 . . . . 0.95 109.676 -176.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.536 ' HB2' HG23 ' A' ' 64' ' ' VAL . 52.3 Cg_exo -53.64 144.72 51.74 Favored 'Trans proline' 0 C--O 1.246 0.92 0 C-N-CA 122.598 2.199 . . . . 0.69 111.739 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -43.54 -53.68 5.41 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.936 1.294 . . . . 2.19 113.274 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.94 -28.04 66.28 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 113.286 0.847 . . . . 2.48 113.286 -174.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.536 HG23 ' HB2' ' A' ' 61' ' ' PRO . 61.9 t -63.13 -47.92 90.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 120.978 0.418 . . . . 0.56 110.66 -177.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 -16.03 63.99 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.933 -0.576 . . . . 0.51 111.933 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.16 -7.73 76.48 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.52 -0.848 . . . . 0.97 111.063 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -102.32 11.85 37.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.891 0.7 . . . . 3.52 112.891 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.678 HG21 HD23 ' A' ' 74' ' ' LEU . 29.9 m -101.45 112.36 34.21 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.539 0.685 . . . . 0.5 110.773 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.435 ' OD2' ' HD2' ' A' ' 34' ' ' ARG . 20.8 t70 -88.63 -39.28 14.18 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.71 -0.677 . . . . 1.88 110.862 -176.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.8 p -111.59 152.9 44.35 Favored Pre-proline 0 C--N 1.303 -1.441 0 CA-C-N 116.002 -0.544 . . . . 0.43 110.356 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 32.2 Cg_exo -60.28 -26.06 81.69 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 123.164 2.576 . . . . 0.34 112.471 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.9 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 7.8 ptp180 -62.03 -37.51 85.18 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.448 -0.342 . . . . 2.05 110.568 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 44.2 mt-10 -69.87 -43.61 71.5 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 123.293 0.371 . . . . 2.23 110.399 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.678 HD23 HG21 ' A' ' 68' ' ' VAL . 2.9 tm? -64.12 -39.69 94.57 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.38 -0.6 . . . . 1.17 109.38 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.628 ' HB2' HD22 ' A' ' 10' ' ' LEU . 46.1 tp -66.16 -43.85 85.76 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-O 121.44 0.638 . . . . 0.6 109.369 177.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.84 -27.1 67.99 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 114.783 -1.099 . . . . 0.89 110.952 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 78.7 mt -61.71 -51.12 69.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.15 -0.315 . . . . 1.06 110.15 176.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.53 HD13 HD11 ' A' ' 60' ' ' ILE . 32.7 mm -67.43 -58.08 7.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.202 -0.666 . . . . 0.62 109.202 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.592 ' HA ' HD22 ' A' ' 4' ' ' LEU . 16.3 m120 -53.2 -49.37 66.88 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.205 -0.907 . . . . 1.45 110.878 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.28 -44.62 95.26 Favored Glycine 0 N--CA 1.434 -1.478 0 CA-C-N 115.22 -0.9 . . . . 0.48 113.013 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.35 98.47 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.943 0.372 . . . . 0.56 111.159 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 56' ' ' TYR . 83.6 mt -64.76 -39.31 93.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.72 111.79 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.064 0 CA-C-O 121.174 0.512 . . . . 0.93 110.705 179.364 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.44 -0.945 0 CA-C-O 120.658 0.266 . . . . 1.7 110.406 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.702 HD22 ' HA ' ' A' ' 79' ' ' ASN . 84.2 mt -98.75 168.05 10.39 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.363 -0.606 . . . . 1.02 109.363 178.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.606 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? -129.03 154.13 46.93 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.84 -0.344 . . . . 1.37 110.277 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -101.05 -170.46 1.84 Allowed 'General case' 0 C--N 1.3 -1.571 0 O-C-N 123.596 0.56 . . . . 0.88 109.967 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 54.9 m -67.34 -38.75 85.37 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 122.682 0.393 . . . . 0.7 110.6 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.559 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 25.8 t70 -67.88 -30.33 69.66 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.084 0.469 . . . . 2.29 110.722 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.606 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 14.3 m-20 -68.69 -48.69 63.26 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.041 -0.726 . . . . 1.83 109.041 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.74 HD22 ' HB2' ' A' ' 75' ' ' LEU . 54.8 tp -60.01 -38.7 83.43 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.722 -0.672 . . . . 0.75 109.606 177.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.559 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 63.8 ttt180 -51.47 -60.36 3.23 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.428 1.091 . . . . 2.88 110.377 176.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 41.0 mtt180 -64.92 -33.62 76.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.02 0.438 . . . . 3.46 110.679 -176.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -67.71 -37.04 81.72 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.793 -0.639 . . . . 0.63 111.503 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.9 tp -80.78 -33.55 34.84 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.029 0.443 . . . . 0.62 110.04 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 t -53.93 -41.4 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.996 0.918 . . . . 0.74 110.894 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -56.74 -27.66 59.7 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 113.747 1.018 . . . . 2.04 113.747 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.468 ' HB3' HH12 ' A' ' 51' ' ' ARG . 6.3 p . . . . . 0 C--N 1.319 -0.723 0 O-C-N 121.655 -0.653 . . . . 1.3 112.669 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 30.4 p90 . . . . . 0 N--CA 1.447 -0.625 0 CA-C-O 121.023 0.439 . . . . 0.73 110.147 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.541 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 8.4 mp -70.38 -21.39 62.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.091 0.556 . . . . 1.26 112.406 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.48 -2.13 57.32 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.802 0.689 . . . . 2.24 110.979 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.0 mt -91.1 175.19 7.04 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.416 -0.957 . . . . 1.73 108.416 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -116.99 144.31 44.73 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 109.235 -0.654 . . . . 3.1 109.235 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 71' ' ' PRO . 54.6 m-85 -65.32 -33.36 75.79 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.315 -0.402 . . . . 0.43 110.667 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.97 -39.24 81.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.982 0.801 . . . . 2.48 110.883 -179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -73.65 -38.73 64.89 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 116.462 -0.335 . . . . 2.01 110.971 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.9 pt -85.07 20.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 113.347 0.869 . . . . 0.65 113.347 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.36 7.81 87.75 Favored Glycine 0 C--N 1.316 -0.58 0 N-CA-C 114.413 0.525 . . . . 0.55 114.413 174.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -96.09 156.46 16.33 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-N 117.316 0.558 . . . . 1.1 110.662 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.573 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -141.42 171.92 13.4 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.25 -0.648 . . . . 1.89 109.25 177.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -42.29 -48.36 4.98 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 127.136 2.174 . . . . 0.88 113.299 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.15 -35.7 74.22 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.291 0.567 . . . . 1.7 111.661 -175.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.12 -28.39 65.34 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.796 0.808 . . . . 0.46 109.566 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 82.0 mt -78.3 -38.31 42.72 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.343 -0.844 . . . . 0.31 110.702 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.428 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 74.5 mtp -58.21 -43.61 87.74 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 123.624 0.578 . . . . 1.7 109.566 175.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -57.77 -51.59 68.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.19 -0.914 . . . . 1.92 109.872 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.9 m -55.92 -50.36 70.91 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.839 -1.073 . . . . 0.43 110.507 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.64 -43.19 99.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.533 -0.303 . . . . 0.29 111.189 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -59.17 -43.11 92.12 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.452 0.538 . . . . 0.38 112.452 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.468 HH12 ' HB3' ' A' ' 17' ' ' SER . 17.2 ptt-85 -69.53 -24.66 63.76 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.863 -0.735 . . . . 2.54 111.053 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' A' ' 13' ' ' ALA . 90.4 mt -77.86 -34.77 51.55 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.069 -0.514 . . . . 0.4 109.744 176.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.609 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.7 mt-10 -57.78 -49.71 75.7 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.084 -0.71 . . . . 0.64 109.084 174.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -64.25 -27.51 69.1 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.251 -0.886 . . . . 1.33 112.195 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -89.72 -43.98 10.32 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.206 -0.598 . . . . 3.79 111.943 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -94.24 -21.17 19.21 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 113.553 0.946 . . . . 1.17 113.553 -174.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.98 65.6 1.59 Allowed Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.038 -1.077 . . . . 0.91 110.492 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 53' ' ' GLU . 14.8 p -139.64 168.7 17.75 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 107.84 -1.17 . . . . 1.17 107.84 -177.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -133.26 119.89 20.38 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 118.471 0.578 . . . . 1.6 109.722 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.543 HD11 HD13 ' A' ' 78' ' ' ILE . 66.7 mt -128.0 115.91 20.47 Favored Pre-proline 0 C--N 1.31 -1.121 0 N-CA-C 109.575 -0.528 . . . . 0.95 109.575 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.488 ' HB2' HG23 ' A' ' 64' ' ' VAL . 31.9 Cg_exo -59.42 153.6 53.1 Favored 'Trans proline' 0 C--O 1.253 1.242 0 C-N-CA 122.795 2.33 . . . . 0.69 112.335 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -59.0 -47.89 83.56 Favored 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 124.009 0.923 . . . . 2.19 110.518 -176.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.29 -21.51 64.01 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 114.762 -1.108 . . . . 2.48 111.912 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.488 HG23 ' HB2' ' A' ' 61' ' ' PRO . 57.7 t -85.72 -57.87 3.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 109.486 -0.561 . . . . 0.56 109.486 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 46' ' ' MET . . . -57.71 -36.11 71.55 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.662 -0.699 . . . . 0.51 111.294 -178.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.97 39.71 2.83 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 120.836 -0.697 . . . . 0.97 111.951 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -143.22 2.55 1.3 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.872 0.844 . . . . 3.52 109.776 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.433 HG23 HD13 ' A' ' 45' ' ' LEU . 27.3 m -91.93 121.07 42.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.75 -0.594 . . . . 0.5 109.908 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -95.76 -29.79 14.06 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.531 0.682 . . . . 1.88 110.211 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 56.3 p -111.09 141.12 23.61 Favored Pre-proline 0 N--CA 1.432 -1.335 0 CA-C-N 115.726 -0.67 . . . . 0.43 110.157 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.541 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -58.86 -24.17 70.96 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.476 2.784 . . . . 0.34 112.611 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HA ' ' HG ' ' A' ' 31' ' ' LEU . 44.2 ttm180 -57.71 -44.35 85.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.718 -0.673 . . . . 2.05 109.559 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 39.0 mt-10 -64.48 -46.76 81.63 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.459 -0.791 . . . . 2.23 110.734 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.34 -44.25 95.71 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.202 -0.666 . . . . 1.17 109.202 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.74 ' HB2' HD22 ' A' ' 10' ' ' LEU . 55.9 tp -63.58 -46.42 85.95 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.605 -0.725 . . . . 0.6 109.85 178.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.55 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.768 -1.106 . . . . 0.89 111.926 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 84.7 mt -58.3 -51.94 67.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.664 0.268 . . . . 1.06 110.367 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.543 HD13 HD11 ' A' ' 60' ' ' ILE . 31.3 mm -63.61 -56.67 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 108.808 -0.812 . . . . 0.62 108.808 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.702 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.6 m120 -51.16 -54.39 25.8 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.244 -0.889 . . . . 1.45 111.693 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.08 -53.79 42.04 Favored Glycine 0 N--CA 1.436 -1.352 0 CA-C-N 115.711 -0.677 . . . . 0.48 113.121 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.87 81.3 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 112.061 0.393 . . . . 0.56 112.061 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.3 mt -76.05 -33.06 59.59 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 112.088 0.403 . . . . 0.72 112.088 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.866 0 CA-C-O 120.599 0.238 . . . . 0.93 111.639 -179.2 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.441 -0.918 0 CA-C-O 121.681 0.753 . . . . 1.7 109.168 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' A' ' 79' ' ' ASN . 83.8 mt -78.36 167.5 21.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.375 0.607 . . . . 1.02 112.158 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 9' ' ' ASP . 76.1 mt -84.8 141.29 30.6 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-N 115.518 -0.764 . . . . 1.37 109.969 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.7 p -94.2 -170.47 2.3 Favored 'General case' 0 N--CA 1.415 -2.187 0 N-CA-C 107.056 -1.461 . . . . 0.88 107.056 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.5 HG23 HD21 ' A' ' 31' ' ' LEU . 43.3 m -68.76 -45.55 71.11 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 118.058 0.39 . . . . 0.7 110.226 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.552 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 34.8 t70 -68.66 -23.92 64.47 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 111.888 0.329 . . . . 2.29 111.888 -178.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.467 ' HB3' HD22 ' A' ' 5' ' ' LEU . 3.0 m-20 -59.52 -51.69 68.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.288 0.566 . . . . 1.83 110.358 175.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.462 HD22 ' HE1' ' A' ' 30' ' ' PHE . 4.4 tt -65.44 -41.36 93.55 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 107.612 -1.255 . . . . 0.75 107.612 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HD3' ' OD1' ' A' ' 8' ' ' ASP . 54.5 ttt180 -53.55 -53.81 46.26 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.607 -0.724 . . . . 2.88 111.587 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 91.9 mtt180 -58.84 -44.36 90.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.924 0.392 . . . . 3.46 110.902 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.26 62.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.014 -0.539 . . . . 0.63 111.978 -176.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.6 tp -83.02 -24.88 32.65 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.04 0.448 . . . . 0.62 110.276 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 11' ' ' ARG . 98.7 t -72.77 -17.7 18.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 121.712 0.767 . . . . 0.74 110.336 176.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 14.1 mm-40 -71.77 -28.86 63.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.618 -0.719 . . . . 2.04 111.947 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.32 -0.706 0 CA-C-O 121.255 0.55 . . . . 1.3 111.612 178.075 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.462 ' HE1' HD22 ' A' ' 10' ' ' LEU . 52.7 p90 . . . . . 0 C--O 1.212 -0.873 0 N-CA-C 110.071 -0.344 . . . . 0.73 110.071 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.633 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 2.5 mm? -75.63 -27.69 58.51 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.657 -0.417 . . . . 1.26 111.849 -172.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -100.03 3.41 44.13 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 120.021 -0.672 . . . . 2.24 109.984 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -85.59 114.62 22.74 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 107.331 -1.359 . . . . 1.73 107.331 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -65.57 149.29 50.31 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.263 -0.426 . . . . 3.1 111.607 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 69.2 m-85 -67.04 -28.0 67.86 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.221 -0.445 . . . . 0.43 110.897 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.25 -37.64 64.88 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 124.422 1.089 . . . . 2.48 110.163 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.24 -39.49 68.43 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.817 -0.629 . . . . 2.01 110.081 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.414 HD11 ' HD1' ' A' ' 35' ' ' PHE . 29.2 pt -93.46 18.44 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.637 0.606 . . . . 0.65 112.637 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.6 40.17 96.03 Favored Glycine 0 C--O 1.225 -0.432 0 CA-C-N 115.42 -0.809 . . . . 0.55 113.909 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -101.93 169.45 8.76 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-N 117.192 0.496 . . . . 1.1 112.312 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.624 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.8 p-10 -139.77 171.99 13.43 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.645 -0.707 . . . . 1.89 109.578 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -65.51 -40.65 93.26 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 124.083 0.953 . . . . 0.88 111.771 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.01 -33.7 72.36 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 120.955 0.407 . . . . 1.7 110.639 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.79 -31.9 72.1 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.451 0.643 . . . . 0.46 110.18 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 69.3 mt -74.02 -42.53 60.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.75 -0.659 . . . . 0.31 109.639 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 73.4 mtp -58.17 -45.73 86.95 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.16 -0.927 . . . . 1.7 109.966 177.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -57.1 -50.07 73.94 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.83 -0.623 . . . . 1.92 109.619 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.5 m -56.34 -52.32 64.99 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 123.924 0.89 . . . . 0.43 111.35 178.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.457 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -59.36 -45.58 91.01 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.037 0.21 . . . . 0.29 111.113 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.568 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -62.17 -32.78 73.44 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.345 0.593 . . . . 0.38 111.656 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -70.09 -34.54 73.28 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 124.346 1.058 . . . . 2.54 110.694 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.51 -36.41 63.21 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.002 -0.545 . . . . 0.4 110.701 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.568 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 45.4 mt-10 -51.13 -56.78 10.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.466 0.706 . . . . 0.64 112.003 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -58.18 -29.11 65.38 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.19 0.811 . . . . 1.33 113.19 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -87.98 -35.9 17.36 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 120.462 -0.495 . . . . 3.79 111.91 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -102.82 -18.13 15.25 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 115.71 1.745 . . . . 1.17 115.71 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.99 60.91 1.98 Allowed Glycine 0 C--N 1.309 -0.968 0 C-N-CA 119.768 -1.206 . . . . 0.91 111.03 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.456 ' HB ' HD21 ' A' ' 82' ' ' LEU . 7.1 p -143.18 150.09 17.94 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.892 0 N-CA-C 106.792 -1.558 . . . . 1.17 106.792 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.559 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 50.3 m -129.98 115.55 17.31 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 118.131 0.423 . . . . 1.6 110.154 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 70.8 mt -120.6 127.54 26.23 Favored Pre-proline 0 C--N 1.306 -1.316 0 CA-C-N 116.165 -0.471 . . . . 0.95 109.914 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HB2' HG23 ' A' ' 64' ' ' VAL . 34.3 Cg_exo -59.6 140.95 96.23 Favored 'Trans proline' 0 C--O 1.245 0.861 0 C-N-CA 122.525 2.15 . . . . 0.69 111.322 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.3 -41.51 72.44 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.483 1.113 . . . . 2.19 111.857 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.5 -34.91 69.56 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.729 -0.669 . . . . 2.48 111.674 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 61' ' ' PRO . 49.1 t -67.23 -52.34 43.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 123.321 0.648 . . . . 0.56 110.281 -177.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.15 69.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.626 -0.715 . . . . 0.51 111.246 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.33 3.7 83.84 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.791 -0.719 . . . . 0.97 113.268 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -109.02 -3.41 17.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.81 0.671 . . . . 3.52 112.81 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.505 HG23 HD13 ' A' ' 45' ' ' LEU . 27.2 m -85.43 125.52 40.46 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 C-N-CA 119.769 -0.772 . . . . 0.5 111.752 -177.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -93.54 -27.54 16.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.58 0.705 . . . . 1.88 110.018 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.2 p -127.72 147.08 61.22 Favored Pre-proline 0 C--N 1.31 -1.142 0 CA-C-N 115.582 -0.736 . . . . 0.43 110.915 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.633 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 46.0 Cg_exo -59.39 -21.25 60.18 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 123.475 2.783 . . . . 0.34 112.479 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 31' ' ' LEU . 23.2 tpp180 -55.11 -43.05 73.72 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 123.938 0.895 . . . . 2.05 108.669 175.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 29.5 mt-10 -73.38 -45.08 56.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.879 -1.055 . . . . 2.23 109.921 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.06 -45.99 86.14 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.484 0.714 . . . . 1.17 109.4 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.37 -46.11 90.14 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 115.504 -0.771 . . . . 0.6 110.061 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.52 -38.03 88.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.145 -0.934 . . . . 0.89 111.891 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 91.0 mt -53.61 -47.64 70.04 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.173 0.511 . . . . 1.06 110.33 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.409 HG21 ' HG ' ' A' ' 5' ' ' LEU . 43.9 mm -67.48 -55.49 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.934 -1.03 . . . . 0.62 109.224 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.718 ' HA ' HD22 ' A' ' 4' ' ' LEU . 15.1 m120 -49.67 -55.32 14.18 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.678 0.791 . . . . 1.45 111.508 -178.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.91 -48.95 83.56 Favored Glycine 0 N--CA 1.437 -1.27 0 O-C-N 124.062 0.851 . . . . 0.48 112.741 -177.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.02 81.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.704 0.252 . . . . 0.56 111.658 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.456 HD21 ' HB ' ' A' ' 58' ' ' VAL . 70.8 mt -64.96 -45.92 83.69 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 112.196 0.443 . . . . 0.72 112.196 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.579 0 CA-C-O 120.785 0.326 . . . . 0.93 111.582 -178.245 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.439 -0.985 0 N-CA-C 107.59 -1.263 . . . . 1.7 107.59 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.528 ' HA ' ' CD1' ' A' ' 82' ' ' LEU 0.293 2.4 pp -64.8 137.57 57.86 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 114.519 1.303 . . . . 1.02 114.519 -177.456 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.408 HD11 ' HB ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -69.57 153.36 43.59 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.438 -1.256 . . . . 1.37 112.092 -175.084 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.1 p -91.11 -177.88 5.02 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 116.454 -0.339 . . . . 0.88 111.303 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 m -67.27 -38.67 85.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.819 -1.178 . . . . 0.7 107.819 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 35.9 t70 -66.21 -40.9 90.68 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.851 -1.068 . . . . 2.29 110.928 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -61.84 -40.79 96.54 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.753 0.311 . . . . 1.83 110.183 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.622 HD22 ' HB2' ' A' ' 75' ' ' LEU . 59.1 tp -59.02 -46.11 89.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.124 -0.943 . . . . 0.75 109.135 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' O ' HG23 ' A' ' 15' ' ' VAL . 18.7 ttp180 -55.9 -51.85 66.17 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 123.806 0.691 . . . . 2.88 110.45 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 49.6 mtt180 -57.56 -52.27 66.1 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.001 0.429 . . . . 3.46 111.379 -177.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -28.23 69.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.767 -0.651 . . . . 0.63 112.048 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.438 ' HG ' ' CZ ' ' A' ' 40' ' ' TYR . 18.4 tp -82.97 -40.28 20.25 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.967 -0.56 . . . . 0.62 109.892 -178.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 11' ' ' ARG . 93.1 t -65.02 -35.62 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.486 -0.324 . . . . 0.74 110.365 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 41.6 mm-40 -59.86 -35.82 75.57 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.537 0.208 . . . . 2.04 110.92 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.452 -0.366 0 CA-C-N 116.114 -0.493 . . . . 1.3 110.039 178.473 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.682 ' HA ' HD13 ' A' ' 33' ' ' LEU . 21.7 p90 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 120.96 0.41 . . . . 0.73 110.623 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.685 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 7.1 mp -61.67 -35.59 78.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 115.913 1.82 . . . . 1.26 115.913 -171.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.51 6.42 45.88 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.505 0.928 . . . . 2.24 113.505 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.682 HD13 ' HA ' ' A' ' 30' ' ' PHE . 8.7 mp -78.17 106.28 9.96 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.984 -0.747 . . . . 1.73 108.984 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -56.7 134.6 54.9 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 111.974 0.361 . . . . 3.1 111.974 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.438 ' HA ' HG12 ' A' ' 38' ' ' ILE . 59.1 m-85 -60.78 -31.17 70.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.59 -0.732 . . . . 0.43 110.743 178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.04 -51.72 68.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.454 -0.794 . . . . 2.48 110.046 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.39 -37.13 71.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.438 -0.801 . . . . 2.01 111.783 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.438 HG12 ' HA ' ' A' ' 35' ' ' PHE . 33.0 pt -83.88 16.43 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.846 0.684 . . . . 0.65 112.846 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.87 32.8 85.38 Favored Glycine 0 C--O 1.247 0.924 0 N-CA-C 114.907 0.723 . . . . 0.55 114.907 174.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CZ ' ' HG ' ' A' ' 14' ' ' LEU . 1.4 m-85 -93.36 139.68 30.4 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.376 0.608 . . . . 1.1 111.914 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -87.05 145.51 26.45 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 107.256 -1.387 . . . . 1.89 107.256 177.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.522 ' O ' ' HG3' ' A' ' 46' ' ' MET . 48.9 m -70.79 -28.6 64.78 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 120.347 -0.541 . . . . 0.88 110.108 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.27 -24.6 65.8 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.585 -0.446 . . . . 1.7 111.218 173.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.81 -34.79 62.43 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.711 -0.848 . . . . 0.46 108.711 175.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' O ' ' HB ' ' A' ' 48' ' ' THR . 65.9 mt -65.16 -40.94 95.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.71 -0.677 . . . . 0.31 109.266 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.522 ' HG3' ' O ' ' A' ' 42' ' ' SER . 61.8 mtt -59.81 -46.06 90.41 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 114.754 -1.112 . . . . 1.7 110.166 178.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.41 -38.09 88.3 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.05 0.452 . . . . 1.92 109.967 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 91.1 m -58.08 -59.5 5.19 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.297 -0.865 . . . . 0.43 110.053 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.24 83.06 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.391 -0.368 . . . . 0.29 111.168 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.483 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -57.89 -42.79 85.4 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.928 0.491 . . . . 0.38 112.257 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 48' ' ' THR . 5.6 ptp180 -72.71 -25.49 61.25 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.991 -0.684 . . . . 2.54 109.691 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD22 ' HE2' ' A' ' 56' ' ' TYR . 95.5 mt -76.67 -31.28 57.2 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.696 -0.684 . . . . 0.4 110.359 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.483 ' OE2' ' HA ' ' A' ' 50' ' ' ALA . 46.6 mt-10 -55.94 -56.67 17.92 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 123.655 0.597 . . . . 0.64 109.843 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -65.13 -36.05 83.05 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.243 -0.889 . . . . 1.33 111.459 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -71.46 -45.86 61.47 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.363 -0.535 . . . . 3.79 112.137 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.663 ' HB3' HD21 ' A' ' 82' ' ' LEU . 96.9 m-85 -97.13 -20.9 17.66 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 115.044 1.498 . . . . 1.17 115.044 -172.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.14 46.84 2.33 Favored Glycine 0 C--N 1.309 -0.922 0 C-N-CA 119.752 -1.213 . . . . 0.91 112.887 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 23.5 m -128.54 176.2 8.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 O-C-N 122.751 -0.264 . . . . 1.17 111.363 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 p -136.16 111.49 9.12 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 123.906 0.754 . . . . 1.6 109.202 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.615 HD13 ' HG ' ' A' ' 77' ' ' LEU . 69.1 mt -134.83 111.27 11.22 Favored Pre-proline 0 C--N 1.31 -1.139 0 N-CA-C 110.007 -0.368 . . . . 0.95 110.007 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.4 ' HD2' HG21 ' A' ' 64' ' ' VAL . 39.2 Cg_exo -62.62 156.23 53.91 Favored 'Trans proline' 0 C--O 1.25 1.106 0 C-N-CA 123.593 2.862 . . . . 0.69 114.124 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.82 -49.2 68.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.64 1.176 . . . . 2.19 112.16 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.636 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 22.9 t70 -56.06 -43.15 77.65 Favored 'General case' 0 C--O 1.21 -1.007 0 O-C-N 123.464 0.477 . . . . 2.48 111.351 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.4 HG21 ' HD2' ' A' ' 61' ' ' PRO . 44.7 t -61.83 -51.99 66.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 123.526 0.73 . . . . 0.56 110.199 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.28 -21.33 65.13 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.775 -0.648 . . . . 0.51 111.951 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.56 7.57 77.46 Favored Glycine 0 N--CA 1.44 -1.077 0 C-N-CA 120.985 -0.626 . . . . 0.97 112.357 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 17.3 mtm180 -111.04 7.36 21.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 117.221 0.51 . . . . 3.52 111.135 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -87.9 105.12 15.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-O 121.906 0.86 . . . . 0.5 111.098 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -53.5 -50.36 65.56 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 113.933 -1.485 . . . . 1.88 112.362 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 19.9 p -131.83 162.36 56.91 Favored Pre-proline 0 C--N 1.308 -1.22 0 CA-C-N 115.662 -0.699 . . . . 0.43 110.697 -177.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.52 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.4 Cg_exo -56.56 -28.18 73.0 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.456 2.771 . . . . 0.34 113.592 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.685 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 3.7 ptm180 -63.14 -33.55 75.7 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.442 -0.577 . . . . 2.05 109.442 178.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -72.89 -42.96 63.04 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 108.714 -0.847 . . . . 2.23 108.714 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.17 -40.91 97.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.686 -0.857 . . . . 1.17 108.686 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.622 ' HB2' HD22 ' A' ' 10' ' ' LEU . 60.7 tp -60.06 -53.53 56.72 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.64 -0.709 . . . . 0.6 109.767 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.05 -37.02 83.38 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.468 -0.787 . . . . 0.89 111.165 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.615 ' HG ' HD13 ' A' ' 60' ' ' ILE . 56.7 tp -54.63 -49.59 70.15 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.55 0.74 . . . . 1.06 110.54 177.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.583 HD13 HD12 ' A' ' 60' ' ' ILE . 46.7 mm -71.67 -44.82 68.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.8 -0.444 . . . . 0.62 109.8 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.478 HD22 ' HB2' ' A' ' 4' ' ' LEU . 12.5 m120 -52.49 -53.08 50.61 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 116.261 -0.427 . . . . 1.45 111.202 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.86 -39.08 97.02 Favored Glycine 0 N--CA 1.441 -0.976 0 CA-C-N 115.644 -0.707 . . . . 0.48 113.012 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.76 -37.11 85.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.334 0.588 . . . . 0.56 110.188 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 56' ' ' TYR . 76.4 mt -71.27 -46.18 61.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.738 -0.665 . . . . 0.72 110.919 176.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.672 0 CA-C-O 121.169 0.509 . . . . 0.93 111.135 177.669 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.423 -1.785 0 N-CA-C 108.898 -0.779 . . . . 1.7 108.898 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.867 HD22 ' HA ' ' A' ' 79' ' ' ASN . 65.2 mt -89.87 158.18 17.56 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.931 -0.577 . . . . 1.02 109.935 -174.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.539 ' HG ' HG21 ' A' ' 78' ' ' ILE . 96.0 mt -72.61 147.87 45.41 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 116.255 -0.43 . . . . 1.37 110.4 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -87.15 -178.45 6.24 Favored 'General case' 0 N--CA 1.418 -2.034 0 N-CA-C 107.951 -1.129 . . . . 0.88 107.951 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.43 HG22 ' HE1' ' A' ' 30' ' ' PHE . 9.3 m -72.35 -37.57 68.8 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 107.864 -1.161 . . . . 0.7 107.864 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -65.22 -45.68 83.7 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.178 -0.919 . . . . 2.29 112.652 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.21 -32.21 71.32 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.476 -0.89 . . . . 1.83 110.09 -177.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.529 HD22 ' HB2' ' A' ' 75' ' ' LEU . 51.5 tp -69.41 -38.42 77.91 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.007 -0.738 . . . . 0.75 109.007 175.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 15' ' ' VAL . 22.8 ttp85 -57.93 -50.51 73.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.544 -0.753 . . . . 2.88 109.281 175.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -60.14 -45.66 92.28 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.056 -0.52 . . . . 3.46 110.555 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.649 ' HB2' HH21 ' A' ' 51' ' ' ARG . . . -51.58 -50.99 59.08 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 124.203 1.001 . . . . 0.63 111.804 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.2 tp -75.54 -27.25 58.6 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 114.683 -1.144 . . . . 0.62 111.986 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 11' ' ' ARG . 94.5 t -72.78 -45.38 56.81 Favored 'Isoleucine or valine' 0 C--O 1.248 0.997 0 N-CA-C 108.444 -0.946 . . . . 0.74 108.444 173.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -61.43 -23.77 66.07 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.468 -0.787 . . . . 2.04 112.02 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 m . . . . . 0 C--O 1.244 0.768 0 CA-C-O 120.673 0.273 . . . . 1.3 110.483 177.467 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.523 ' HA ' HD23 ' A' ' 33' ' ' LEU . 34.1 p90 . . . . . 0 N--CA 1.437 -1.102 0 N-CA-C 112.169 0.433 . . . . 0.73 112.169 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.825 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 1.8 mm? -78.66 -23.42 45.74 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.379 -0.528 . . . . 1.26 111.215 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -83.91 -26.75 29.11 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 120.869 0.366 . . . . 2.24 111.704 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 30' ' ' PHE . 3.5 mm? -69.74 144.5 52.73 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 109.091 -0.707 . . . . 1.73 109.091 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -90.34 158.06 17.32 Favored 'General case' 0 C--N 1.286 -2.157 0 N-CA-C 108.73 -0.841 . . . . 3.1 108.73 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -66.61 -31.38 72.03 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 120.566 -0.453 . . . . 0.43 110.599 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.91 -30.36 70.93 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.825 -0.625 . . . . 2.48 110.522 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.94 -41.95 77.39 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.187 0.518 . . . . 2.01 109.776 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.2 pt -89.82 18.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 113.18 0.807 . . . . 0.65 113.18 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.47 27.32 73.54 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 116.176 -0.466 . . . . 0.55 113.877 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -101.08 121.63 42.15 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 122.467 -0.431 . . . . 1.1 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -90.05 161.64 15.73 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.922 -0.769 . . . . 1.89 108.922 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.9 m -54.19 -34.26 60.11 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 124.974 1.31 . . . . 0.88 113.015 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.19 -32.6 72.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.923 0.392 . . . . 1.7 111.385 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.12 -26.73 61.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.102 0.477 . . . . 0.46 110.32 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.28 -30.4 69.41 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.647 -0.706 . . . . 0.31 110.311 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.463 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 78.2 mtp -65.79 -34.57 78.46 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 114.996 -1.002 . . . . 1.7 109.675 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.69 -46.57 75.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.844 -0.798 . . . . 1.92 108.844 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.9 m -56.62 -53.26 59.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.299 -0.864 . . . . 0.43 110.114 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.7 99.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.044 -0.525 . . . . 0.29 112.004 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.7 -33.52 75.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.011 0.375 . . . . 0.38 112.011 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.649 HH21 ' HB2' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -67.62 -24.45 65.47 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.471 -0.936 . . . . 2.54 108.471 178.218 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.2 mt -83.72 -34.93 24.79 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.684 -0.689 . . . . 0.4 110.685 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -56.92 -53.7 55.03 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 116.384 -0.371 . . . . 0.64 110.291 177.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 p -64.77 -31.11 72.19 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.204 -0.907 . . . . 1.33 111.171 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.502 ' HA ' ' HE ' ' A' ' 55' ' ' ARG . 1.5 tpm_? -69.36 -44.24 71.97 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.228 -0.896 . . . . 3.79 112.3 -176.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -110.25 -10.22 14.63 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.22 1.192 . . . . 1.17 114.22 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.3 52.53 4.49 Favored Glycine 0 C--N 1.297 -1.625 0 C-N-CA 119.74 -1.219 . . . . 0.91 110.539 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 p -127.69 173.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 N-CA-C 107.427 -1.323 . . . . 1.17 107.427 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.9 m -133.81 128.23 34.32 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 118.678 0.672 . . . . 1.6 110.795 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.2 mt -127.57 108.21 20.84 Favored Pre-proline 0 C--N 1.306 -1.309 0 N-CA-C 108.62 -0.882 . . . . 0.95 108.62 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.462 ' HD2' HG21 ' A' ' 64' ' ' VAL . 43.8 Cg_exo -58.85 157.53 28.18 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.978 2.452 . . . . 0.69 113.114 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.93 -54.21 38.13 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.972 1.309 . . . . 2.19 112.391 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 17.3 t70 -60.88 -40.05 91.54 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.899 -0.591 . . . . 2.48 111.131 -176.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.462 HG21 ' HD2' ' A' ' 61' ' ' PRO . 60.4 t -60.02 -56.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 124.881 1.272 . . . . 0.56 110.73 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.463 ' HB1' ' HA ' ' A' ' 46' ' ' MET . . . -56.34 -37.41 69.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.677 -0.692 . . . . 0.51 111.795 -177.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.53 23.43 36.21 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.334 -0.936 . . . . 0.97 112.242 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 13.0 tpt180 -100.55 -25.07 14.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.341 0.591 . . . . 3.52 109.695 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 73' ' ' GLU . 36.0 m -73.31 130.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.214 -0.903 . . . . 0.5 112.049 -174.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -88.88 -43.86 10.89 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.513 0.673 . . . . 1.88 110.839 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.7 p -115.96 154.23 48.34 Favored Pre-proline 0 C--N 1.303 -1.448 0 CA-C-N 115.698 -0.683 . . . . 0.43 110.066 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -58.5 -21.87 56.51 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.628 2.885 . . . . 0.34 113.883 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.825 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 13.6 ptp180 -67.0 -32.68 74.07 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-O 121.074 0.464 . . . . 2.05 110.098 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 31.1 mt-10 -72.57 -37.41 68.21 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.756 -0.656 . . . . 2.23 109.385 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.98 -39.69 87.25 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 107.778 -1.193 . . . . 1.17 107.778 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.529 ' HB2' HD22 ' A' ' 10' ' ' LEU . 56.8 tp -63.19 -43.57 97.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.539 -0.755 . . . . 0.6 109.649 176.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.31 -27.33 68.53 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.769 -0.65 . . . . 0.89 111.555 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 82.5 mt -60.73 -46.36 90.71 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.779 -0.823 . . . . 1.06 108.779 175.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.539 HG21 ' HG ' ' A' ' 5' ' ' LEU . 44.4 mm -66.45 -55.63 17.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.738 -1.119 . . . . 0.62 109.33 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.867 ' HA ' HD22 ' A' ' 4' ' ' LEU . 15.3 m120 -51.33 -53.61 34.42 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.903 0.752 . . . . 1.45 110.523 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.21 -49.64 75.76 Favored Glycine 0 N--CA 1.428 -1.878 0 CA-C-N 115.088 -0.96 . . . . 0.48 112.919 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.8 89.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 117.441 0.62 . . . . 0.56 111.459 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.12 -41.99 76.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.437 0.532 . . . . 0.72 112.437 -177.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.992 0 N-CA-C 112.203 0.446 . . . . 0.93 112.203 -177.008 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.1 m . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 121.155 0.502 . . . . 1.7 110.657 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.682 HD22 ' HA ' ' A' ' 79' ' ' ASN . 55.0 mt -66.82 121.9 16.5 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.862 -0.608 . . . . 1.02 109.735 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.41 148.28 43.46 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.041 -0.527 . . . . 1.37 110.435 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 p -91.89 -173.55 3.53 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 112.724 0.638 . . . . 0.88 112.724 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.421 ' CG2' HD21 ' A' ' 31' ' ' LEU . 30.1 m -66.07 -39.27 89.92 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 123.581 0.753 . . . . 0.7 110.047 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 3.7 m-20 -62.58 -39.74 94.68 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.948 -0.569 . . . . 2.29 112.154 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.38 -42.53 68.31 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 119.809 -0.756 . . . . 1.83 110.025 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.714 HD22 ' HB2' ' A' ' 75' ' ' LEU . 50.3 tp -54.67 -45.85 73.95 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 123.945 0.778 . . . . 0.75 109.598 176.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 15' ' ' VAL . 40.6 ttm180 -52.51 -51.4 59.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.274 -0.875 . . . . 2.88 110.789 177.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 76.2 mtm180 -63.37 -45.58 90.46 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.035 0.445 . . . . 3.46 111.061 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.73 64.96 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 0.63 111.811 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.3 tp -78.78 -41.26 30.97 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.808 -0.441 . . . . 0.62 109.808 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 11' ' ' ARG . 90.1 t -57.92 -34.14 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.576 0.351 . . . . 0.74 110.854 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 13.0 mm-40 -60.17 -34.61 73.82 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.048 -0.524 . . . . 2.04 110.832 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.645 0.736 . . . . 1.3 110.697 -178.554 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.2 p90 . . . . . 0 C--O 1.206 -1.196 0 CA-C-O 120.601 0.238 . . . . 0.73 110.672 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' ' HB ' ' A' ' 70' ' ' THR . 2.9 mm? -72.38 -27.77 62.59 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.407 -0.36 . . . . 1.26 111.748 -174.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -96.49 -12.29 24.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.628 0.728 . . . . 2.24 110.669 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.92 137.9 38.59 Favored 'General case' 0 CA--C 1.488 -1.434 0 CA-C-N 115.424 -0.807 . . . . 1.73 110.319 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -83.1 156.82 23.09 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-N 116.069 -0.514 . . . . 3.1 109.991 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.468 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 75.2 m-85 -69.11 -19.7 64.05 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 115.922 -0.581 . . . . 0.43 112.19 -175.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.75 -32.6 74.36 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 123.535 0.522 . . . . 2.48 110.635 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -72.34 -45.83 58.16 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.291 0.567 . . . . 2.01 110.813 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.9 pt -85.87 12.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 CA-C-N 115.508 -0.769 . . . . 0.65 112.84 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.57 41.17 72.73 Favored Glycine 0 N--CA 1.463 0.494 0 CA-C-N 115.556 -0.747 . . . . 0.55 113.546 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -95.72 135.33 37.56 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 112.82 0.674 . . . . 1.1 112.82 -177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.429 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.8 m-20 -85.32 148.93 25.79 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.549 -1.205 . . . . 1.89 108.416 174.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -61.53 -34.1 74.95 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.574 0.702 . . . . 0.88 109.107 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.15 -36.15 83.11 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.066 -0.97 . . . . 1.7 110.671 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.02 80.74 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.46 109.426 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 64.4 mt -63.41 -38.71 92.2 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.692 0.758 . . . . 0.31 109.51 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.0 mtp -63.13 -37.53 87.57 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.669 -1.15 . . . . 1.7 110.916 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.89 -38.86 79.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.791 -0.448 . . . . 1.92 109.791 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.479 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 29.9 m -52.95 -58.07 8.2 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.651 -0.704 . . . . 0.43 109.151 174.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.93 -37.4 86.88 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.801 -0.636 . . . . 0.29 111.225 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -59.51 -43.43 93.38 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.36 0.504 . . . . 0.38 112.36 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.3 ptp180 -70.05 -24.35 63.24 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.536 0.684 . . . . 2.54 109.98 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 48' ' ' THR . 83.9 mt -81.41 -32.94 32.49 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.697 -0.683 . . . . 0.4 109.551 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.484 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 47.0 mt-10 -55.73 -53.83 51.76 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.811 -0.631 . . . . 0.64 109.467 174.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.7 p -71.19 -24.63 62.26 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.176 -0.92 . . . . 1.33 112.66 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -79.99 -26.09 40.06 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.95 -0.3 . . . . 3.79 111.088 -177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -117.37 -10.66 10.68 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.289 1.218 . . . . 1.17 114.289 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.31 45.62 9.79 Favored Glycine 0 C--N 1.303 -1.264 0 C-N-CA 119.684 -1.246 . . . . 0.91 110.292 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 p -128.65 174.13 12.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 106.194 -1.78 . . . . 1.17 106.194 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 t -143.23 146.21 33.45 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-N 119.197 0.908 . . . . 1.6 110.027 177.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.34 114.94 10.68 Favored Pre-proline 0 C--N 1.307 -1.253 0 C-N-CA 123.951 0.9 . . . . 0.95 108.674 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.41 ' HB2' HG23 ' A' ' 64' ' ' VAL . 50.7 Cg_exo -56.39 147.04 70.32 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.914 2.409 . . . . 0.69 111.675 175.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -60.46 -29.68 69.19 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.784 0.434 . . . . 2.19 112.109 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.46 -15.1 62.78 Favored 'General case' 0 C--O 1.201 -1.498 0 N-CA-C 111.918 0.34 . . . . 2.48 111.918 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 61' ' ' PRO . 56.6 t -85.75 -56.5 5.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 109.238 -0.653 . . . . 0.56 109.238 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.55 74.41 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.38 -0.827 . . . . 0.51 111.962 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.25 39.65 2.78 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.548 -0.834 . . . . 0.97 111.071 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -145.53 17.13 1.49 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 122.361 1.077 . . . . 3.52 109.175 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.488 HG21 HD23 ' A' ' 74' ' ' LEU . 31.5 m -102.54 117.43 47.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 CA-C-N 115.353 -0.839 . . . . 0.5 109.74 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -67.44 -47.97 68.63 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 115.566 -0.743 . . . . 1.88 110.364 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 24.3 p -127.25 157.1 73.53 Favored Pre-proline 0 N--CA 1.427 -1.587 0 CA-C-N 115.592 -0.731 . . . . 0.43 110.502 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.468 ' HG3' ' CE1' ' A' ' 35' ' ' PHE . 31.9 Cg_exo -61.34 -16.9 49.97 Favored 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 123.47 2.78 . . . . 0.34 112.721 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.9 -40.04 83.3 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 109.333 -0.618 . . . . 2.05 109.333 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.636 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.9 mp0 -74.09 -38.6 63.84 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.944 -0.571 . . . . 2.23 110.646 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.52 HD22 HD12 ' A' ' 77' ' ' LEU . 1.8 tm? -62.28 -40.56 96.67 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 108.695 -0.854 . . . . 1.17 108.695 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.714 ' HB2' HD22 ' A' ' 10' ' ' LEU . 63.2 tp -65.05 -44.51 88.78 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 115.682 -0.69 . . . . 0.6 109.325 175.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.33 -36.32 81.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.831 -1.077 . . . . 0.89 112.165 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 90.6 mt -54.51 -50.45 67.78 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.402 0.62 . . . . 1.06 109.686 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.92 -52.59 47.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.915 -1.039 . . . . 0.62 110.584 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.682 ' HA ' HD22 ' A' ' 4' ' ' LEU . 12.6 m120 -60.47 -29.92 69.36 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.497 -0.32 . . . . 1.45 111.826 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.21 -54.44 4.75 Favored Glycine 0 N--CA 1.43 -1.709 0 C-N-CA 120.823 -0.703 . . . . 0.48 111.404 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.12 87.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.437 0.532 . . . . 0.56 112.437 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.5 mt -73.09 -16.82 61.46 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.774 0.657 . . . . 0.72 112.774 -176.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.248 0 CA-C-O 121.043 0.449 . . . . 0.93 111.343 -179.266 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.6 m . . . . . 0 N--CA 1.435 -1.183 0 N-CA-C 108.969 -0.752 . . . . 1.7 108.969 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.9 mt -89.84 133.6 34.64 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.739 -0.837 . . . . 1.02 108.739 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 56' ' ' TYR . 1.1 pp -75.42 147.29 40.07 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 120.136 -0.626 . . . . 1.37 111.75 176.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.1 p -97.82 -170.81 2.05 Favored 'General case' 0 C--N 1.293 -1.866 0 CA-C-N 115.168 -0.924 . . . . 0.88 110.521 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -64.29 -49.31 72.32 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 107.814 -1.18 . . . . 0.7 107.814 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.0 -38.85 92.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.83 -1.077 . . . . 2.29 111.73 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -62.67 -48.11 80.73 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 110.26 -0.274 . . . . 1.83 110.26 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 tp -56.72 -49.46 75.09 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 124.041 0.838 . . . . 0.75 109.816 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.5 ttp85 -51.74 -54.59 26.74 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.821 0.7 . . . . 2.88 111.522 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -62.44 -35.27 78.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.81 0.67 . . . . 3.46 112.81 -177.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.11 -45.23 58.19 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.391 0.615 . . . . 0.63 110.503 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.1 tp -63.31 -41.45 98.94 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 124.509 1.124 . . . . 0.62 112.228 -175.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.39 -17.46 16.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 122.259 1.028 . . . . 0.74 110.114 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -35.26 31.13 Favored 'General case' 0 N--CA 1.422 -1.837 0 N-CA-C 107.593 -1.262 . . . . 2.04 107.593 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.435 ' OG ' ' HD3' ' A' ' 51' ' ' ARG . 9.3 m . . . . . 0 C--O 1.242 0.695 0 CA-C-O 121.419 0.628 . . . . 1.3 110.048 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 49.4 p90 . . . . . 0 C--O 1.206 -1.197 0 CA-C-O 120.773 0.32 . . . . 0.73 110.174 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.682 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 2.6 mm? -68.35 -27.84 66.61 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.092 -0.504 . . . . 1.26 111.541 -173.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -97.25 -4.31 39.09 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.189 -0.46 . . . . 2.24 110.909 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.5 tp -81.52 106.08 13.19 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.588 -0.893 . . . . 1.73 108.588 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.406 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 64.7 mtp180 -60.85 141.76 56.81 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.337 -0.847 . . . . 3.1 111.293 -176.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.486 ' HB3' ' HB2' ' A' ' 40' ' ' TYR . 56.0 m-85 -64.5 -31.27 72.41 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.087 -0.96 . . . . 0.43 111.427 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -54.93 -44.62 74.41 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.361 0.665 . . . . 2.48 110.354 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 36.2 m-20 -69.47 -26.55 64.63 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.26 -0.427 . . . . 2.01 111.894 -176.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.8 pt -106.49 19.62 5.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 113.431 0.9 . . . . 0.65 113.431 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.43 42.34 99.08 Favored Glycine 0 C--N 1.319 -0.407 0 CA-C-N 115.746 -0.661 . . . . 0.55 114.273 176.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.486 ' HB2' ' HB3' ' A' ' 35' ' ' PHE . 6.7 m-85 -106.67 109.43 21.33 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 122.398 -0.472 . . . . 1.1 110.829 177.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -79.47 164.67 23.76 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.853 -1.165 . . . . 1.89 107.853 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.4 m -52.26 -35.33 49.63 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.357 0.411 . . . . 0.88 111.059 175.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.11 -40.91 71.01 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.544 0.738 . . . . 1.7 111.369 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.91 -32.43 57.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.498 0.666 . . . . 0.46 110.737 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 mt -75.47 -42.91 51.92 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.869 -0.605 . . . . 0.31 110.434 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.3 mtt -64.27 -36.75 85.12 Favored 'General case' 0 CA--C 1.5 -0.962 0 CA-C-N 115.71 -0.677 . . . . 1.7 109.782 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 8.0 tp10 -58.66 -50.56 73.41 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.89 -0.781 . . . . 1.92 108.89 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.546 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 91.7 m -55.64 -51.2 68.01 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 114.5 -1.227 . . . . 0.43 110.54 177.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -59.57 -46.03 90.12 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 121.087 -0.245 . . . . 0.29 110.908 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -57.58 -48.66 78.75 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.469 0.708 . . . . 0.38 112.702 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 11.2 ptm180 -64.45 -30.99 72.02 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.198 0.523 . . . . 2.54 111.273 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 48' ' ' THR . 95.3 mt -75.97 -35.78 59.51 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.356 -0.383 . . . . 0.4 110.412 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 47.5 mt-10 -55.27 -48.54 73.88 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.577 0.548 . . . . 0.64 109.675 176.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.1 m -61.68 -34.36 75.61 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.93 -1.032 . . . . 1.33 113.336 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.473 ' HD2' ' CE2' ' A' ' 56' ' ' TYR . 36.5 ttm180 -87.03 -42.73 12.86 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.954 0.407 . . . . 3.79 111.885 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.499 ' CE2' HD23 ' A' ' 5' ' ' LEU . 99.3 m-85 -96.14 -18.43 20.13 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 114.452 1.279 . . . . 1.17 114.452 -170.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.81 62.31 2.15 Favored Glycine 0 C--N 1.309 -0.968 0 C-N-CA 119.716 -1.231 . . . . 0.91 110.722 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.507 ' CG1' ' HA ' ' A' ' 53' ' ' GLU . 7.1 p -136.87 151.93 28.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 108.017 -1.105 . . . . 1.17 108.017 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.2 m -116.25 116.81 28.45 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.472 -0.566 . . . . 1.6 109.472 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.502 HD11 HD13 ' A' ' 78' ' ' ILE . 63.2 mt -122.43 109.35 32.97 Favored Pre-proline 0 C--N 1.311 -1.1 0 CA-C-O 120.803 0.335 . . . . 0.95 110.33 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.96 157.37 53.2 Favored 'Trans proline' 0 C--O 1.255 1.345 0 C-N-CA 123.301 2.667 . . . . 0.69 113.6 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -49.86 -59.01 4.25 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.148 1.779 . . . . 2.19 112.995 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 24.5 t70 -53.68 -42.65 68.16 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.005 0.522 . . . . 2.48 111.315 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.44 -59.49 4.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 114.424 -1.262 . . . . 0.56 110.995 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.29 -16.16 61.6 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.772 0.656 . . . . 0.51 112.772 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.23 4.46 44.59 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.229 -0.986 . . . . 0.97 111.757 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 42.5 ttp180 -104.42 -13.81 15.95 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.284 0.564 . . . . 3.52 110.044 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.553 HG11 HD11 ' A' ' 77' ' ' LEU . 31.1 m -72.97 105.41 2.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-O 121.82 0.819 . . . . 0.5 111.786 -177.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.18 -40.91 67.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.506 -0.77 . . . . 1.88 112.383 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 25.5 p -122.56 158.04 57.54 Favored Pre-proline 0 C--N 1.303 -1.424 0 CA-C-N 116.267 -0.424 . . . . 0.43 110.986 -177.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.682 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.8 Cg_exo -57.87 -18.68 35.83 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 123.167 2.578 . . . . 0.34 112.138 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 31' ' ' LEU . 37.4 mmt180 -50.68 -53.96 26.92 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 108.603 -0.888 . . . . 2.05 108.603 172.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.57 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 6.1 mm-40 -66.35 -49.27 67.49 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 113.563 -1.653 . . . . 2.23 110.735 -175.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.44 -42.72 96.7 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.917 -0.583 . . . . 1.17 109.99 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.2 tp -65.95 -44.2 85.69 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 108.927 -0.768 . . . . 0.6 108.927 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -59.06 -41.15 87.23 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 114.502 -1.226 . . . . 0.89 111.295 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 77.5 mt -52.61 -55.06 25.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.437 0.695 . . . . 1.06 110.576 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.502 HD13 HD11 ' A' ' 60' ' ' ILE . 36.6 mm -65.07 -60.56 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-N 114.588 -1.187 . . . . 0.62 110.137 -177.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -50.14 -52.99 30.64 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.712 0.633 . . . . 1.45 112.443 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.27 99.35 Favored Glycine 0 C--O 1.239 0.461 0 O-C-N 123.49 0.494 . . . . 0.48 113.565 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.42 -34.62 67.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.811 0.339 . . . . 0.56 111.296 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 56' ' ' TYR . 79.2 mt -73.36 -21.97 60.4 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.723 0.297 . . . . 0.72 111.328 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 CA-C-O 120.807 0.337 . . . . 0.93 110.976 178.557 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.433 -1.277 0 CA-C-O 122.455 1.122 . . . . 1.7 109.047 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 79' ' ' ASN . 89.1 mt -101.2 132.6 46.62 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.992 -1.004 . . . . 1.02 108.873 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 1.9 pt? -75.37 139.79 42.6 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.149 -0.478 . . . . 1.37 110.367 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.9 p -101.89 -169.33 1.66 Allowed 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.591 -0.731 . . . . 0.88 109.213 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.583 HG23 HD21 ' A' ' 31' ' ' LEU . 28.0 m -55.24 -54.45 43.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.029 0.532 . . . . 0.7 111.213 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 24.3 t70 -63.32 -38.13 89.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.984 0.365 . . . . 2.29 111.984 -177.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 26.6 m-20 -60.64 -47.07 87.87 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 108.906 -0.775 . . . . 1.83 108.906 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.404 HD22 ' HB2' ' A' ' 75' ' ' LEU . 62.1 tp -63.15 -42.1 99.39 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.163 -0.926 . . . . 0.75 110.223 178.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.2 ttp85 -53.4 -52.92 57.77 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 123.51 0.506 . . . . 2.88 110.676 178.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 68.3 mtt180 -57.23 -48.87 77.74 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 123.685 0.616 . . . . 3.46 110.641 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.65 -31.17 70.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.833 -0.622 . . . . 0.63 112.466 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD13 HG21 ' A' ' 48' ' ' THR . 58.2 tp -81.94 -34.19 29.95 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.447 -0.342 . . . . 0.62 111.367 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 11' ' ' ARG . 50.5 t -75.34 -23.73 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.825 -0.806 . . . . 0.74 108.825 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.97 -36.7 77.68 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.142 -0.935 . . . . 2.04 110.027 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.44 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 13.8 m . . . . . 0 CA--C 1.548 0.893 0 CA-C-O 120.871 0.367 . . . . 1.3 111.328 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.52 ' HA ' HD23 ' A' ' 33' ' ' LEU . 43.4 p90 . . . . . 0 N--CA 1.439 -1.009 0 N-CA-C 109.697 -0.483 . . . . 0.73 109.697 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.642 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.0 mm? -78.92 -23.59 44.62 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.216 -0.447 . . . . 1.26 112.176 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -93.79 3.65 55.11 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.686 0.625 . . . . 2.24 112.686 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 30' ' ' PHE . 3.2 mm? -99.8 149.84 22.95 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 109.512 -0.551 . . . . 1.73 109.512 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -89.02 146.45 24.85 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.443 0.639 . . . . 3.1 112.326 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.665 ' HA ' HG12 ' A' ' 38' ' ' ILE . 62.6 m-85 -64.1 -32.17 73.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.127 -0.942 . . . . 0.43 112.633 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -23.55 63.95 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 112.525 0.565 . . . . 2.48 112.525 -178.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -87.78 -25.91 23.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.127 0.489 . . . . 2.01 110.619 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.665 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -90.09 18.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 112.453 0.538 . . . . 0.65 112.453 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.23 32.41 65.47 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.55 113.964 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 1.4 m-85 -110.76 138.55 47.02 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 113.491 0.922 . . . . 1.1 113.491 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 32.0 m-20 -94.5 166.19 12.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 115.29 -0.868 . . . . 1.89 109.66 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -66.55 -41.54 88.5 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.99 0.9 . . . . 0.88 108.685 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.52 -31.31 72.31 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.337 -1.301 . . . . 1.7 110.08 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.2 -23.83 54.65 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.619 -0.719 . . . . 0.46 110.333 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 40.2 mt -74.78 -39.36 61.8 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 108.851 -0.796 . . . . 0.31 108.851 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.6 mtt -63.2 -42.34 99.29 Favored 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 114.842 -1.072 . . . . 1.7 108.324 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -58.64 -44.46 90.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.595 0.758 . . . . 1.92 110.301 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.481 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 96.0 m -61.74 -52.46 64.17 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.406 -0.815 . . . . 0.43 109.984 177.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.46 -36.32 77.97 Favored 'General case' 0 C--O 1.203 -1.344 0 CA-C-N 116.163 -0.471 . . . . 0.29 110.984 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.16 76.06 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.642 0.777 . . . . 0.38 112.679 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.5 ptp180 -70.19 -33.62 71.95 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 119.686 -0.806 . . . . 2.54 109.255 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.3 -40.52 74.21 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.395 -0.821 . . . . 0.4 109.961 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.581 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.2 mt-10 -59.29 -46.66 87.95 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 123.119 0.568 . . . . 0.64 109.981 176.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 m -63.14 -48.53 78.08 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.015 0.822 . . . . 1.33 110.966 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -68.36 -53.74 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.502 0.556 . . . . 3.79 112.502 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -83.7 -15.78 47.45 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.492 0.923 . . . . 1.17 113.492 -172.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.19 63.31 2.18 Favored Glycine 0 C--O 1.243 0.712 0 C-N-CA 120.654 -0.784 . . . . 0.91 111.305 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 53' ' ' GLU . 14.3 p -141.67 169.04 14.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 108.98 -0.748 . . . . 1.17 108.98 -177.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -134.62 121.83 21.44 Favored 'General case' 0 C--O 1.248 0.994 0 N-CA-C 109.095 -0.706 . . . . 1.6 109.095 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.545 HD11 HD13 ' A' ' 78' ' ' ILE . 64.2 mt -125.32 124.49 25.18 Favored Pre-proline 0 C--N 1.316 -0.881 0 N-CA-C 109.82 -0.437 . . . . 0.95 109.82 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.469 ' HB2' HG23 ' A' ' 64' ' ' VAL . 45.7 Cg_exo -59.33 142.73 99.5 Favored 'Trans proline' 0 C--O 1.253 1.233 0 C-N-CA 122.891 2.394 . . . . 0.69 111.43 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -57.94 -46.66 84.71 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 115.663 -0.699 . . . . 2.19 111.467 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -53.93 -43.13 69.51 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.511 0.507 . . . . 2.48 111.334 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.469 HG23 ' HB2' ' A' ' 61' ' ' PRO . 58.1 t -62.19 -55.98 20.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 114.97 -1.014 . . . . 0.56 109.799 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.414 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -59.34 -31.26 69.02 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 115.856 -0.611 . . . . 0.51 111.793 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.91 -1.68 88.77 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.519 -0.848 . . . . 0.97 113.054 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -118.2 14.83 14.0 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.993 0.738 . . . . 3.52 112.993 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 74' ' ' LEU . 17.4 m -89.05 105.51 15.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 108.685 -0.857 . . . . 0.5 108.685 174.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.78 -51.22 70.47 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.262 -0.881 . . . . 1.88 111.123 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -114.51 152.44 46.16 Favored Pre-proline 0 C--N 1.312 -1.044 0 CA-C-N 115.469 -0.787 . . . . 0.43 110.931 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 33' ' ' LEU . 42.1 Cg_exo -60.14 -23.68 74.46 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 123.641 2.894 . . . . 0.34 113.311 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.642 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.8 ttm180 -62.27 -37.43 85.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.199 0.523 . . . . 2.05 110.434 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.517 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 35.7 mt-10 -69.19 -39.55 78.61 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.284 -0.871 . . . . 2.23 110.019 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.498 HD22 HD12 ' A' ' 77' ' ' LEU . 3.0 tm? -68.19 -38.94 82.53 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.829 -0.804 . . . . 1.17 108.829 178.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.404 ' HB2' HD22 ' A' ' 10' ' ' LEU . 53.4 tp -57.94 -50.51 73.11 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 123.788 0.835 . . . . 0.6 109.387 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -59.52 -35.11 73.54 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 115.166 -0.924 . . . . 0.89 113.014 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 86.8 mt -57.34 -43.6 83.58 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.404 0.44 . . . . 1.06 110.741 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.545 HD13 HD11 ' A' ' 60' ' ' ILE . 36.0 mm -72.71 -57.13 7.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.49 -0.93 . . . . 0.62 108.49 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.453 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.0 m120 -47.5 -54.57 11.19 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.777 0.831 . . . . 1.45 112.355 -178.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.99 -47.12 86.14 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.932 -0.576 . . . . 0.48 113.441 -176.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.54 73.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.962 0.381 . . . . 0.56 111.803 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.13 -43.98 63.87 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 121.01 -0.276 . . . . 0.72 110.48 177.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.999 -0.546 . . . . 0.93 111.26 -179.431 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.472 HG23 ' HD1' ' A' ' 56' ' ' TYR . 6.0 t . . . . . 0 N--CA 1.42 -1.926 0 N-CA-C 107.233 -1.395 . . . . 1.7 107.233 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.3 mt -74.44 129.79 38.42 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.169 -0.923 . . . . 1.02 110.64 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.493 HD23 ' CE2' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -71.05 147.41 48.56 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.835 -0.621 . . . . 1.37 111.301 176.132 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -102.89 -170.2 1.76 Allowed 'General case' 0 N--CA 1.411 -2.394 0 CA-C-N 115.182 -0.917 . . . . 0.88 110.843 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.635 HG23 HD21 ' A' ' 31' ' ' LEU . 26.9 m -65.46 -48.33 73.05 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 123.943 0.897 . . . . 0.7 109.356 -177.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.76 -30.89 71.79 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.003 -0.544 . . . . 2.29 111.152 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -66.81 -50.09 63.73 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 116.502 -0.317 . . . . 1.83 110.468 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 75' ' ' LEU . 48.1 tp -64.49 -36.17 83.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.01 -0.541 . . . . 0.75 110.144 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.532 ' O ' HG23 ' A' ' 15' ' ' VAL . 59.0 ttt180 -55.79 -57.2 13.01 Favored 'General case' 0 CA--C 1.517 -0.289 0 O-C-N 123.678 0.611 . . . . 2.88 109.542 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -60.15 -41.73 93.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.512 -0.767 . . . . 3.46 111.673 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.55 -28.79 68.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.264 -0.426 . . . . 0.63 112.145 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.5 tp -85.6 -23.65 27.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.521 0.677 . . . . 0.62 110.474 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 11' ' ' ARG . 57.9 t -77.51 -28.18 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.354 -0.98 . . . . 0.74 108.354 173.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.68 -39.24 90.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.753 -1.112 . . . . 2.04 109.759 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.555 ' HB3' HH22 ' A' ' 51' ' ' ARG . 1.8 p . . . . . 0 C--N 1.316 -0.878 0 CA-C-O 121.271 0.557 . . . . 1.3 111.812 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.443 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 40.8 p90 . . . . . 0 C--O 1.207 -1.142 0 N-CA-C 111.535 0.198 . . . . 0.73 111.535 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.635 HD21 HG23 ' A' ' 7' ' ' THR . 2.4 mm? -78.2 -26.67 47.63 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.155 -0.683 . . . . 1.26 109.155 -177.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.87 -30.93 45.32 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.182 -1.372 . . . . 2.24 110.124 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.5 mt -71.69 123.73 23.2 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 108.023 -1.103 . . . . 1.73 108.023 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -78.15 158.06 29.21 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 109.36 -0.607 . . . . 3.1 109.36 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -66.97 -21.04 65.98 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.15 0.5 . . . . 0.43 110.585 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.51 -26.06 64.35 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.201 -0.909 . . . . 2.48 109.417 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -79.6 -38.7 33.34 Favored 'General case' 0 CA--C 1.505 -0.782 0 O-C-N 121.921 -0.487 . . . . 2.01 110.265 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.6 pt -98.21 11.92 5.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 113.373 0.879 . . . . 0.65 113.373 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.08 45.18 96.61 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 115.844 -0.616 . . . . 0.55 114.163 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -106.47 125.61 51.22 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 113.066 0.765 . . . . 1.1 113.066 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.542 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 35.4 t70 -90.86 165.45 13.6 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.777 -1.102 . . . . 1.89 110.9 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -58.46 -46.26 86.94 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 125.118 1.367 . . . . 0.88 110.724 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.418 ' HA ' ' SD ' ' A' ' 46' ' ' MET . 7.9 mp -67.69 -27.41 66.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.044 0.449 . . . . 1.7 111.394 -177.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.85 -37.2 62.29 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.844 -0.616 . . . . 0.46 109.503 177.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 83.9 mt -65.44 -39.18 91.76 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.677 -0.692 . . . . 0.31 110.321 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.478 ' HE3' ' HB3' ' A' ' 62' ' ' ASP . 71.3 mtp -59.09 -47.88 83.64 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.09 -0.959 . . . . 1.7 110.26 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -58.59 -43.38 89.47 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.083 -0.71 . . . . 1.92 109.083 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.568 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 72.0 m -59.83 -54.94 40.41 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.844 -1.071 . . . . 0.43 110.543 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.04 -38.42 88.63 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 112.117 0.414 . . . . 0.29 112.117 -178.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -56.65 -39.22 73.33 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.265 0.555 . . . . 0.38 111.813 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.568 ' NH2' ' HA ' ' A' ' 48' ' ' THR . 13.4 ttp-105 -64.04 -32.53 74.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.621 -0.718 . . . . 2.54 111.067 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt -79.36 -37.22 37.94 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 115.575 -0.739 . . . . 0.4 110.293 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.518 ' OE2' ' HA ' ' A' ' 50' ' ' ALA . 45.2 mt-10 -54.52 -59.33 4.83 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 123.785 0.678 . . . . 0.64 110.914 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -65.49 -24.38 67.14 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.272 -0.877 . . . . 1.33 111.991 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -81.93 -45.53 15.3 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 112.144 0.424 . . . . 3.79 112.144 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.493 ' CE2' HD23 ' A' ' 5' ' ' LEU . 97.9 m-85 -96.51 -11.9 24.85 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.39 0.515 . . . . 1.17 112.39 -175.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.47 63.41 1.56 Allowed Glycine 0 N--CA 1.433 -1.538 0 C-N-CA 120.673 -0.775 . . . . 0.91 111.816 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 p -149.29 167.59 3.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 107.518 -1.29 . . . . 1.17 107.518 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 p -141.62 121.74 13.8 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.037 0.446 . . . . 1.6 110.722 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.403 HD12 HD13 ' A' ' 78' ' ' ILE . 69.2 mt -126.35 125.28 24.56 Favored Pre-proline 0 C--N 1.3 -1.578 0 N-CA-C 108.791 -0.818 . . . . 0.95 108.791 -177.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HB2' HG23 ' A' ' 64' ' ' VAL . 93.4 Cg_exo -47.14 140.78 13.78 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.683 2.922 . . . . 0.69 113.038 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.478 ' HB3' ' HE3' ' A' ' 46' ' ' MET . 14.0 m-20 -53.24 -51.86 60.82 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 124.729 1.212 . . . . 2.19 111.893 -174.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -53.77 -44.22 69.87 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.808 0.843 . . . . 2.48 111.876 -177.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 61' ' ' PRO . 63.0 t -56.55 -44.52 80.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 124.653 1.181 . . . . 0.56 111.204 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.3 -25.85 66.07 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.825 -0.625 . . . . 0.51 111.941 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.75 0.75 67.75 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.712 -0.756 . . . . 0.97 112.468 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -89.24 -4.83 58.04 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 122.17 -0.606 . . . . 3.52 111.566 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.1 m -86.71 119.88 35.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-O 121.768 0.794 . . . . 0.5 111.36 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -84.67 -34.05 23.09 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.187 -0.915 . . . . 1.88 108.856 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 p -120.83 145.05 40.41 Favored Pre-proline 0 N--CA 1.433 -1.305 0 CA-C-N 114.642 -1.163 . . . . 0.43 110.097 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 31.3 Cg_exo -62.85 -19.8 69.62 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 123.434 2.756 . . . . 0.34 111.842 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.75 -41.28 77.27 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.623 -0.717 . . . . 2.05 109.551 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 67.0 mm-40 -74.66 -39.77 61.84 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.342 -0.845 . . . . 2.23 110.82 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.16 -45.23 95.47 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 108.21 -1.033 . . . . 1.17 108.21 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.452 HD12 HD13 ' A' ' 5' ' ' LEU . 37.5 tp -57.65 -50.17 74.04 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 124.057 0.943 . . . . 0.6 109.025 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.57 -35.97 79.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.523 -1.217 . . . . 0.89 111.956 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 77.9 mt -56.61 -54.26 48.13 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 120.823 0.344 . . . . 1.06 110.406 177.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.403 HD13 HD12 ' A' ' 60' ' ' ILE . 39.9 mm -64.74 -51.55 65.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.488 -0.778 . . . . 0.62 109.611 -177.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -52.37 -53.61 42.53 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.562 0.539 . . . . 1.45 110.868 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.08 -48.71 84.66 Favored Glycine 0 C--O 1.218 -0.888 0 CA-C-N 115.691 -0.686 . . . . 0.48 112.946 -177.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.07 -37.44 85.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.02 0.41 . . . . 0.56 111.773 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.12 -43.85 70.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.515 0.198 . . . . 0.72 110.556 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.214 0.53 . . . . 0.93 111.849 -177.809 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.427 -1.593 0 CA-C-O 122.413 1.102 . . . . 1.7 109.388 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.95 125.52 31.49 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 114.606 -1.179 . . . . 1.02 108.371 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.98 146.36 39.63 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 110.023 -0.362 . . . . 1.37 110.023 -176.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.3 p -92.84 -170.77 2.53 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 112.85 0.685 . . . . 0.88 112.85 -172.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.4 m -59.22 -54.45 46.75 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.829 0.852 . . . . 0.7 110.226 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.426 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 24.8 t70 -66.03 -28.26 68.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.571 -0.286 . . . . 2.29 111.331 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.57 -52.17 64.45 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.604 -0.517 . . . . 1.83 109.604 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.603 HD22 ' HB2' ' A' ' 75' ' ' LEU . 57.3 tp -62.23 -41.99 98.91 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.78 -0.646 . . . . 0.75 109.47 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.3 ttm180 -50.78 -57.28 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.368 1.067 . . . . 2.88 110.75 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 51.5 mtt180 -68.11 -39.81 82.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.62 -0.264 . . . . 3.46 111.389 -177.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.6 73.75 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.295 0.48 . . . . 0.63 112.295 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.2 tp -77.01 -37.42 55.01 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.825 -0.435 . . . . 0.62 109.825 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 11' ' ' ARG . 94.8 t -62.18 -36.66 75.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 CA-C-N 116.197 -0.456 . . . . 0.74 109.83 176.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 31.5 mm-40 -56.16 -33.61 65.39 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.69 -0.687 . . . . 2.04 111.358 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.239 0.53 0 CA-C-O 121.156 0.503 . . . . 1.3 111.179 -179.882 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 33' ' ' LEU . 33.1 p90 . . . . . 0 C--O 1.203 -1.356 0 CA-C-O 120.397 0.141 . . . . 0.73 111.199 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.6 mm? -69.27 -36.99 77.65 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.774 -0.37 . . . . 1.26 111.442 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.56 -3.3 33.68 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.288 -0.565 . . . . 2.24 110.379 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 30' ' ' PHE . 59.7 tp -73.36 106.07 5.02 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.442 -0.948 . . . . 1.73 108.442 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -63.84 149.55 46.73 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.904 -0.589 . . . . 3.1 112.338 -171.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -66.53 -29.15 69.18 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.423 -0.808 . . . . 0.43 111.146 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.22 -25.1 66.75 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.077 0.465 . . . . 2.48 110.268 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -82.43 -37.63 25.2 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 120.86 0.362 . . . . 2.01 110.511 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.7 pt -90.05 14.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 112.653 0.612 . . . . 0.65 112.653 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.74 49.17 75.29 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.511 -0.768 . . . . 0.55 114.081 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.54 126.61 55.12 Favored 'General case' 0 N--CA 1.423 -1.784 0 N-CA-C 112.292 0.479 . . . . 1.1 112.292 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.501 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 39.0 m-20 -97.97 174.72 6.42 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.884 -1.154 . . . . 1.89 107.884 175.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' MET . 65.2 m -59.04 -39.04 80.78 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.187 1.18 . . . . 0.88 114.187 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.3 -43.12 96.58 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.603 0.594 . . . . 1.7 112.603 -177.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.36 73.82 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.145 0.498 . . . . 0.46 110.841 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 45.9 mt -72.17 -39.34 68.77 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.407 -0.59 . . . . 0.31 109.407 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.424 ' HG3' ' O ' ' A' ' 42' ' ' SER . 60.0 mtt -65.88 -42.65 90.05 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 115.126 -0.943 . . . . 1.7 109.786 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.35 -43.56 83.57 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 121.77 0.795 . . . . 1.92 109.232 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.544 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 86.1 m -61.52 -56.18 22.81 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.974 -1.012 . . . . 0.43 110.546 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.85 90.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.61 0.243 . . . . 0.29 111.342 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.25 82.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.931 0.715 . . . . 0.38 112.931 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 48' ' ' THR . 5.3 ptp180 -69.61 -32.77 71.68 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 119.856 -0.738 . . . . 2.54 109.33 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.59 -33.73 66.93 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.435 -0.802 . . . . 0.4 110.016 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -55.3 -59.72 4.4 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 123.714 0.634 . . . . 0.64 110.034 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.2 m -61.74 -28.23 69.28 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 114.912 -1.04 . . . . 1.33 112.0 -176.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -81.12 -44.95 17.17 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.932 -0.577 . . . . 3.79 111.914 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -101.29 -9.96 20.74 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 114.318 1.229 . . . . 1.17 114.318 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.21 58.03 2.68 Favored Glycine 0 C--O 1.248 0.973 0 C-N-CA 120.521 -0.847 . . . . 0.91 112.155 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.8 p -145.54 134.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 108.537 -0.912 . . . . 1.17 108.537 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.1 m -106.07 118.74 37.41 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 120.82 0.343 . . . . 1.6 110.662 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.669 HD12 HD13 ' A' ' 78' ' ' ILE . 79.7 mt -131.78 124.67 19.94 Favored Pre-proline 0 C--N 1.31 -1.137 0 N-CA-C 108.924 -0.769 . . . . 0.95 108.924 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.579 ' HB2' HG23 ' A' ' 64' ' ' VAL . 38.4 Cg_exo -55.54 135.48 69.47 Favored 'Trans proline' 0 C--O 1.243 0.742 0 C-N-CA 123.142 2.561 . . . . 0.69 112.405 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -55.44 -38.65 69.28 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 123.839 0.855 . . . . 2.19 112.01 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -65.47 -21.32 66.63 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.728 0.299 . . . . 2.48 111.687 -176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 61' ' ' PRO . 61.3 t -71.31 -35.05 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.342 0.591 . . . . 0.56 109.877 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.13 -7.85 54.07 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.956 -0.565 . . . . 0.51 111.275 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.54 18.31 55.39 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 111.252 -0.739 . . . . 0.97 111.252 177.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -114.53 -0.96 13.53 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.477 0.656 . . . . 3.52 109.849 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.491 HG21 HD23 ' A' ' 74' ' ' LEU . 26.5 m -95.21 118.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-O 121.629 0.728 . . . . 0.5 111.514 -174.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -85.91 -35.66 20.38 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.99 -1.004 . . . . 1.88 108.777 -177.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -121.5 148.22 49.61 Favored Pre-proline 0 CA--C 1.552 1.04 0 CA-C-N 115.038 -0.983 . . . . 0.43 110.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.28 -24.53 77.63 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.966 3.111 . . . . 0.34 113.351 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.502 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 41.9 ttm180 -59.03 -36.62 75.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.184 0.516 . . . . 2.05 110.133 177.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 33.8 mt-10 -72.89 -40.98 65.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.313 -0.858 . . . . 2.23 109.911 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.491 HD23 HG21 ' A' ' 68' ' ' VAL . 3.0 tm? -63.74 -41.18 98.08 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.991 -0.744 . . . . 1.17 108.991 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.603 ' HB2' HD22 ' A' ' 10' ' ' LEU . 58.5 tp -60.35 -44.31 95.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.293 -0.867 . . . . 0.6 109.626 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.7 -29.78 69.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.057 -0.974 . . . . 0.89 111.834 -177.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 85.9 mt -62.83 -50.26 71.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.98 0.419 . . . . 1.06 110.209 177.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.669 HD13 HD12 ' A' ' 60' ' ' ILE . 49.4 mm -68.75 -63.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.462 -0.79 . . . . 0.62 109.806 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.66 -33.77 74.54 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.603 -0.726 . . . . 1.45 111.945 -175.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.04 -37.96 92.28 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.484 -0.389 . . . . 0.48 112.254 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.57 -35.24 65.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.175 0.512 . . . . 0.56 109.684 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.22 -31.73 71.45 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 115.892 -0.594 . . . . 0.72 110.767 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 C-N-CA 122.816 0.446 . . . . 0.93 111.768 179.592 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.445 -0.72 0 CA-C-O 121.387 0.613 . . . . 1.7 109.836 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.29 121.52 23.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.978 -0.379 . . . . 1.02 109.978 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.643 HD23 ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -69.47 150.41 47.23 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 112.938 0.718 . . . . 1.37 112.938 178.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.5 p -106.05 -170.44 1.73 Allowed 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.603 -0.726 . . . . 0.88 111.88 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.5 m -66.77 -37.53 84.79 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.18 -0.674 . . . . 0.7 109.18 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 20.7 m-20 -54.92 -50.16 69.5 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 115.825 -0.625 . . . . 2.29 110.245 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.24 -47.39 70.92 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.024 -0.989 . . . . 1.83 110.488 -177.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.623 HD22 ' HB2' ' A' ' 75' ' ' LEU . 54.5 tp -56.0 -44.09 78.3 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.754 0.658 . . . . 0.75 110.733 178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ttp-105 -59.61 -55.32 35.98 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.803 -0.635 . . . . 2.88 110.559 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 65.3 mtt180 -59.8 -40.36 88.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.773 -0.649 . . . . 3.46 110.347 -178.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . -67.53 -42.66 82.38 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.62 0.575 . . . . 0.63 112.296 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 tp -69.52 -40.9 76.64 Favored 'General case' 0 C--N 1.309 -1.164 0 O-C-N 121.958 -0.464 . . . . 0.62 110.838 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.2 t -70.29 -17.4 20.76 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 CA-C-O 121.995 0.903 . . . . 0.74 109.769 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 33.0 tt0 -79.61 -31.56 41.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.032 -0.985 . . . . 2.04 109.101 177.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.586 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 43.8 m . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.313 0.578 . . . . 1.3 109.807 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.2 p90 . . . . . 0 C--O 1.207 -1.157 0 CA-C-O 120.705 0.288 . . . . 0.73 110.3 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.597 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 6.5 mp -66.9 -28.4 68.28 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 114.387 1.254 . . . . 1.26 114.387 -173.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.4 11.89 18.62 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.838 0.827 . . . . 2.24 109.643 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.7 tp -90.09 102.56 15.28 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 106.569 -1.641 . . . . 1.73 106.569 176.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -57.38 150.61 17.97 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 113.302 0.853 . . . . 3.1 113.302 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' HA ' HG12 ' A' ' 38' ' ' ILE . 77.9 m-85 -71.2 -37.44 72.09 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.822 -1.081 . . . . 0.43 109.732 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.56 -31.94 73.38 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.604 -0.887 . . . . 2.48 108.604 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -81.6 -10.52 59.41 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.83 -1.077 . . . . 2.01 110.772 -176.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.555 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.8 pt -118.91 18.36 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 116.31 -0.404 . . . . 0.65 110.646 175.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.1 42.13 99.69 Favored Glycine 0 CA--C 1.525 0.68 0 CA-C-N 115.455 -0.793 . . . . 0.55 114.62 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.87 147.35 28.82 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 117.134 0.467 . . . . 1.1 110.459 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -96.25 148.67 22.5 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.87 -0.789 . . . . 1.89 108.87 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.491 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 48.1 m -65.12 -24.48 67.43 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.871 0.367 . . . . 0.88 111.799 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.34 -32.09 72.79 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.064 0.459 . . . . 1.7 109.829 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.29 -24.57 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.653 -0.703 . . . . 0.46 110.111 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.491 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 50.4 mt -70.82 -37.73 73.23 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.859 -0.793 . . . . 0.31 108.859 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.429 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 62.0 mtt -61.78 -44.76 96.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.634 -1.166 . . . . 1.7 108.786 176.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.0 -38.81 87.36 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.316 -0.856 . . . . 1.92 111.114 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.598 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 91.8 m -63.83 -54.56 33.16 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.744 -0.662 . . . . 0.43 110.708 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.45 78.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.65 0.262 . . . . 0.29 110.863 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.435 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.57 -38.69 85.4 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.642 0.608 . . . . 0.38 112.642 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.9 ptp180 -71.17 -24.02 62.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.598 0.713 . . . . 2.54 109.953 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -83.93 -26.51 29.26 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.529 -0.759 . . . . 0.4 111.346 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.435 ' HG3' ' HA ' ' A' ' 50' ' ' ALA . 47.4 mt-10 -53.9 -62.25 1.78 Allowed 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 123.467 0.479 . . . . 0.64 111.208 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.9 m -74.43 -23.41 58.92 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.878 -0.601 . . . . 1.33 111.46 -174.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -69.91 -36.85 75.69 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.876 -0.602 . . . . 3.79 110.333 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.655 ' HB3' HD21 ' A' ' 82' ' ' LEU . 92.4 m-85 -108.21 4.01 24.28 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.995 0.739 . . . . 1.17 112.995 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.81 22.79 71.17 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 116.258 -0.428 . . . . 0.91 113.607 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.1 m -115.46 176.52 2.27 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 C-N-CA 122.391 0.276 . . . . 1.17 110.943 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -143.59 133.31 23.78 Favored 'General case' 0 N--CA 1.426 -1.632 0 N-CA-C 109.232 -0.655 . . . . 1.6 109.232 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.659 HD12 HD13 ' A' ' 78' ' ' ILE . 59.5 mt -134.13 121.42 15.6 Favored Pre-proline 0 C--N 1.316 -0.887 0 CA-C-N 115.879 -0.601 . . . . 0.95 109.552 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 52.3 Cg_exo -58.1 153.04 47.93 Favored 'Trans proline' 0 CA--C 1.547 1.136 0 C-N-CA 123.467 2.778 . . . . 0.69 113.604 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.85 -47.9 79.3 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.314 1.045 . . . . 2.19 112.947 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 15.5 m-20 -67.02 -17.25 64.83 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 111.927 0.343 . . . . 2.48 111.927 -175.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.412 HG12 HD13 ' A' ' 77' ' ' LEU . 61.4 t -78.97 -52.32 15.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 108.401 -0.963 . . . . 0.56 108.401 178.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 46' ' ' MET . . . -61.0 -30.78 70.49 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.364 -0.835 . . . . 0.51 111.859 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.49 5.65 82.49 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.261 -0.971 . . . . 0.97 112.892 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 37.2 ttt180 -98.29 0.63 45.97 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.443 0.64 . . . . 3.52 110.506 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.539 HG21 HD23 ' A' ' 74' ' ' LEU . 31.2 m -94.38 120.67 44.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-O 121.692 0.758 . . . . 0.5 112.331 -177.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -77.94 -41.42 36.4 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.009 -0.996 . . . . 1.88 110.38 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -119.95 146.38 41.93 Favored Pre-proline 0 N--CA 1.435 -1.187 0 CA-C-N 115.991 -0.549 . . . . 0.43 111.352 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -59.73 -21.74 64.62 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.983 3.122 . . . . 0.34 113.879 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.597 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 40.5 ttm180 -61.75 -32.67 72.94 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.55 -0.537 . . . . 2.05 109.55 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 59.2 mm-40 -82.06 -33.24 30.0 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.78 -0.646 . . . . 2.23 110.894 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.545 HD12 HD11 ' A' ' 10' ' ' LEU . 2.9 tm? -65.46 -39.44 92.0 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 108.33 -0.989 . . . . 1.17 108.33 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.623 ' HB2' HD22 ' A' ' 10' ' ' LEU . 48.7 tp -59.38 -48.59 81.07 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 115.234 -0.894 . . . . 0.6 108.735 175.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.26 -32.72 74.19 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 114.164 -1.38 . . . . 0.89 112.602 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 81.8 mt -58.61 -47.39 84.5 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 120.952 0.406 . . . . 1.06 110.452 177.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.659 HD13 HD12 ' A' ' 60' ' ' ILE . 41.2 mm -70.73 -50.87 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 108.935 -0.765 . . . . 0.62 108.935 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.411 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 12.3 m120 -52.41 -46.23 66.22 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.475 0.484 . . . . 1.45 111.261 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.5 -47.35 91.17 Favored Glycine 0 N--CA 1.439 -1.142 0 O-C-N 123.604 0.565 . . . . 0.48 112.338 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.4 94.59 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.44 0.638 . . . . 0.56 110.536 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 56' ' ' TYR . 93.0 mt -68.4 -37.1 80.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.305 -0.862 . . . . 0.72 110.47 178.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 121.231 0.539 . . . . 0.93 110.409 177.589 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.438 -1.048 0 CA-C-O 121.328 0.585 . . . . 1.7 109.541 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.83 140.45 49.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.309 -0.626 . . . . 1.02 109.309 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -83.99 157.26 21.92 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 116.388 -0.369 . . . . 1.37 111.172 176.303 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.7 p -94.05 -170.84 2.4 Favored 'General case' 0 N--CA 1.428 -1.574 0 O-C-N 123.549 0.531 . . . . 0.88 111.45 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -73.99 -43.61 57.45 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 108.477 -0.934 . . . . 0.7 108.477 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 31.8 t70 -62.04 -33.62 74.72 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.92 -0.582 . . . . 2.29 110.792 178.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 33.3 t70 -72.22 -42.76 65.36 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.428 -0.509 . . . . 1.83 110.216 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 75' ' ' LEU . 51.1 tp -56.96 -46.32 82.24 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.945 -0.761 . . . . 0.75 108.945 174.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 61.8 ttt180 -52.96 -51.73 60.48 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.622 -1.172 . . . . 2.88 110.984 176.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 66.9 mtp180 -57.0 -43.96 82.29 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.419 0.628 . . . . 3.46 111.413 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 52' ' ' LEU . . . -71.63 -25.8 62.3 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.443 -0.799 . . . . 0.63 111.442 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.551 ' HG ' ' OH ' ' A' ' 40' ' ' TYR . 15.1 tp -81.71 -48.64 11.42 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.508 -0.553 . . . . 0.62 109.508 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' ARG . 70.8 t -60.68 -17.77 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.525 0.73 . . . . 0.74 112.347 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.79 -28.14 67.35 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.866 -0.522 . . . . 2.04 109.785 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.442 -0.854 0 N-CA-C 112.1 0.408 . . . . 1.3 112.1 175.763 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.45 ' HB2' HD12 ' A' ' 33' ' ' LEU . 51.7 p90 . . . . . 0 N--CA 1.464 0.245 0 N-CA-C 112.893 0.701 . . . . 0.73 112.893 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.632 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 5.8 mp -67.81 -12.96 61.69 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 113.755 1.02 . . . . 1.26 113.755 -176.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -101.92 -1.31 32.28 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 111.527 0.195 . . . . 2.24 111.527 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.49 ' O ' ' HD3' ' A' ' 71' ' ' PRO . 94.5 mt -77.0 115.76 17.07 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 109.377 -0.601 . . . . 1.73 109.377 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -66.48 145.21 55.9 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 120.971 0.415 . . . . 3.1 110.661 -178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.682 ' HB3' ' HB2' ' A' ' 40' ' ' TYR . 48.2 m-85 -63.74 -24.22 67.68 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.655 -0.702 . . . . 0.43 111.438 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.54 -44.6 96.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.127 -0.488 . . . . 2.48 110.255 174.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.22 -42.67 71.99 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 116.037 -0.529 . . . . 2.01 110.053 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.489 HG13 ' HD1' ' A' ' 40' ' ' TYR . 30.9 pt -86.85 14.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 113.555 0.946 . . . . 0.65 113.555 -176.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.13 50.35 63.94 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 115.14 0.816 . . . . 0.55 115.14 173.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.682 ' HB2' ' HB3' ' A' ' 35' ' ' PHE . 13.4 m-85 -106.36 157.53 17.54 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 113.096 0.776 . . . . 1.1 113.096 178.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.472 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 9.9 t0 -115.65 159.68 21.02 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 105.754 -1.943 . . . . 1.89 105.754 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.523 ' O ' ' HG3' ' A' ' 46' ' ' MET . 19.4 m -67.68 -39.9 84.44 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 108.905 -0.776 . . . . 0.88 108.905 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.42 -31.63 71.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.005 -0.543 . . . . 1.7 109.638 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.08 -35.0 76.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.46 109.64 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.672 ' HB2' ' HA2' ' A' ' 66' ' ' GLY . 93.6 mt -71.65 -38.68 70.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.991 -0.549 . . . . 0.31 110.057 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 63.7 mtt -62.98 -43.24 99.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.396 -0.82 . . . . 1.7 109.239 176.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.9 -43.7 91.08 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.771 -0.649 . . . . 1.92 109.523 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.5 m -57.71 -51.89 67.69 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.313 -0.858 . . . . 0.43 110.748 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -65.23 -41.22 94.6 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.754 -0.203 . . . . 0.29 111.451 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -57.23 -41.4 79.46 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.599 0.592 . . . . 0.38 112.599 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -72.34 -23.88 61.21 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.966 -0.459 . . . . 2.54 111.886 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 13' ' ' ALA . 94.2 mt -82.86 -39.65 21.32 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 116.061 -0.518 . . . . 0.4 110.75 178.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.434 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 49.3 mt-10 -51.71 -49.76 61.83 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 122.796 0.439 . . . . 0.64 110.2 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.8 t -57.39 -43.64 83.85 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.536 -1.211 . . . . 1.33 112.239 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -77.17 -37.83 52.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.304 0.573 . . . . 3.79 111.305 -175.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.593 ' HB3' HD21 ' A' ' 82' ' ' LEU . 99.6 m-85 -95.1 -9.13 34.52 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 113.934 1.087 . . . . 1.17 113.934 -173.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.73 38.75 23.07 Favored Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 121.166 -0.54 . . . . 0.91 112.783 175.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 34.3 m -115.87 175.63 2.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-O 120.845 0.355 . . . . 1.17 111.41 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -139.95 112.68 7.99 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 108.983 -0.747 . . . . 1.6 108.983 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.9 mt -127.44 122.86 22.95 Favored Pre-proline 0 C--N 1.307 -1.24 0 N-CA-C 108.506 -0.924 . . . . 0.95 108.506 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.417 ' HB2' HG23 ' A' ' 64' ' ' VAL . 36.4 Cg_exo -58.53 132.76 50.24 Favored 'Trans proline' 0 C--O 1.251 1.127 0 C-N-CA 122.715 2.277 . . . . 0.69 112.717 -179.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' A' ' 46' ' ' MET . 9.5 m-20 -49.8 -50.5 44.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.532 1.133 . . . . 2.19 110.933 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.39 -30.71 63.07 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.745 0.818 . . . . 2.48 111.759 -175.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 61' ' ' PRO . 86.3 t -79.77 -51.68 15.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 C-N-CA 123.764 0.826 . . . . 0.56 109.592 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -54.16 -36.4 63.32 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 123.933 0.893 . . . . 0.51 112.382 -177.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.672 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -85.84 -8.83 78.94 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.218 -0.991 . . . . 0.97 113.463 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -100.13 14.54 30.41 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.949 0.88 . . . . 3.52 110.941 -174.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 65' ' ' ALA . 18.1 m -81.43 161.17 3.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.155 -0.683 . . . . 0.5 109.155 173.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -117.25 -36.5 3.75 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.318 0.58 . . . . 1.88 111.341 -175.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 28.5 p -122.37 147.05 48.82 Favored Pre-proline 0 C--N 1.302 -1.487 0 CA-C-N 115.79 -0.641 . . . . 0.43 110.467 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 74.6 Cg_exo -53.89 -29.27 52.7 Favored 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 124.164 3.242 . . . . 0.34 113.844 -176.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.632 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 5.5 ptp180 -60.05 -35.24 74.71 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 120.694 0.283 . . . . 2.05 111.13 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.569 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 36.0 mt-10 -72.69 -36.32 67.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.091 -0.504 . . . . 2.23 110.818 -176.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.43 HD22 HD12 ' A' ' 77' ' ' LEU . 2.4 tm? -73.27 -39.0 65.74 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.077 -1.083 . . . . 1.17 108.077 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.681 ' HB2' HD22 ' A' ' 10' ' ' LEU . 46.3 tp -60.76 -47.05 88.05 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.554 -0.906 . . . . 0.6 108.554 175.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.01 -34.91 77.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.315 -1.312 . . . . 0.89 112.232 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 69.5 mt -60.12 -38.31 82.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.998 0.428 . . . . 1.06 110.553 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.2 mm -77.46 -56.92 6.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.945 -0.761 . . . . 0.62 108.945 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.422 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 14.0 m120 -51.86 -48.91 63.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.376 0.671 . . . . 1.45 111.886 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.88 -41.21 99.62 Favored Glycine 0 CA--C 1.506 -0.498 0 O-C-N 123.443 0.464 . . . . 0.48 112.828 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.44 -47.63 81.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.23 0.538 . . . . 0.56 110.039 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.593 HD21 ' HB3' ' A' ' 56' ' ' TYR . 90.7 mt -66.7 -34.93 78.94 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.39 -0.823 . . . . 0.72 111.739 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 121.408 0.623 . . . . 0.93 110.775 178.863 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.425 -1.716 0 N-CA-C 108.403 -0.962 . . . . 1.7 108.403 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' A' ' 79' ' ' ASN . 72.1 mt -73.07 125.13 26.95 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 120.967 0.413 . . . . 1.02 110.403 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.599 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 3.3 pp -79.27 149.03 31.94 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 116.144 -0.48 . . . . 1.37 109.745 174.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.4 p -96.15 -170.62 2.14 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 116.263 -0.426 . . . . 0.88 110.395 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -65.46 -44.63 86.61 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.414 -0.587 . . . . 0.7 109.414 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.75 -41.05 99.03 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.858 -0.61 . . . . 2.29 111.247 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.599 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 55.4 m-20 -63.55 -42.78 98.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 110.066 -0.346 . . . . 1.83 110.066 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 75' ' ' LEU . 48.5 tp -60.46 -44.52 95.78 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 123.71 0.631 . . . . 0.75 110.948 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.5 ttm105 -55.45 -52.82 62.37 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.214 0.53 . . . . 2.88 110.316 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -63.78 -39.89 95.35 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.227 -0.897 . . . . 3.46 110.712 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.04 -31.51 71.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.639 -0.71 . . . . 0.63 111.481 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.8 tp -78.78 -52.51 8.26 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 122.215 -0.303 . . . . 0.62 110.813 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.9 t -61.17 -23.23 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 116.063 -0.517 . . . . 0.74 111.649 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -60.24 -28.08 67.74 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 122.981 0.512 . . . . 2.04 111.201 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 51' ' ' ARG . 44.6 t . . . . . 0 C--N 1.321 -0.673 0 CA-C-O 121.218 0.532 . . . . 1.3 110.447 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.4 p90 . . . . . 0 C--O 1.198 -1.629 0 N-CA-C 112.174 0.435 . . . . 0.73 112.174 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.605 ' O ' ' HB ' ' A' ' 70' ' ' THR . 2.8 mm? -77.97 -24.39 48.09 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 120.618 -0.433 . . . . 1.26 109.961 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -101.03 -12.29 18.98 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-O 121.765 0.793 . . . . 2.24 109.785 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.8 tp -80.45 115.58 20.06 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 106.901 -1.518 . . . . 1.73 106.901 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.445 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 58.0 mtm180 -83.74 163.24 20.33 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.297 0.57 . . . . 3.1 110.826 -171.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' HA ' HG12 ' A' ' 38' ' ' ILE . 73.6 m-85 -70.18 -32.22 70.05 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.169 -0.923 . . . . 0.43 110.639 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -37.53 81.38 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.29 -1.004 . . . . 2.48 108.29 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.445 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 38.0 m-20 -71.96 -30.43 65.29 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.692 -0.686 . . . . 2.01 110.536 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.514 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -104.6 20.84 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 113.552 0.945 . . . . 0.65 113.552 -176.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.31 31.67 81.52 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 114.307 0.483 . . . . 0.55 114.307 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -102.55 122.91 45.31 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 122.452 -0.44 . . . . 1.1 111.014 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.96 157.17 25.64 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.764 -0.653 . . . . 1.89 111.127 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 m -60.89 -34.33 74.49 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 123.651 0.78 . . . . 0.88 110.502 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.93 -34.53 78.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.837 -0.619 . . . . 1.7 110.479 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.85 -29.98 67.35 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.836 -0.62 . . . . 0.46 109.663 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -72.03 -43.43 65.0 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.039 -0.528 . . . . 0.31 110.105 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.612 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 65.2 mtt -61.68 -45.0 95.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.684 -0.689 . . . . 1.7 109.713 177.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.18 -43.19 96.04 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.334 -0.848 . . . . 1.92 109.306 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.494 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 40.7 m -61.09 -51.86 67.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 0.43 111.124 177.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.23 -32.14 72.78 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 121.122 -0.231 . . . . 0.29 111.143 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.69 94.26 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.213 0.53 . . . . 0.38 110.292 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 17' ' ' SER . 30.9 ttp-105 -60.89 -33.62 73.39 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.554 0.742 . . . . 2.54 110.254 176.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 48' ' ' THR . 86.6 mt -75.88 -38.02 58.27 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.488 -0.778 . . . . 0.4 111.122 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 48.3 mt-10 -56.11 -55.81 28.42 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.613 0.72 . . . . 0.64 110.338 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.7 p -66.11 -45.79 79.86 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 114.395 -1.275 . . . . 1.33 112.753 -174.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.83 -39.18 64.23 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 112.923 0.712 . . . . 3.79 112.923 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -96.17 -2.19 46.84 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.663 0.616 . . . . 1.17 112.663 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.74 63.71 3.23 Favored Glycine 0 C--N 1.317 -0.52 0 C-N-CA 121.225 -0.512 . . . . 0.91 112.452 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.8 p -153.09 175.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.435 -1.32 . . . . 1.17 107.435 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -140.94 136.14 31.92 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 108.267 -1.012 . . . . 1.6 108.267 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.401 ' CD1' HD13 ' A' ' 78' ' ' ILE . 72.3 mt -136.55 130.88 18.14 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 108.734 -0.839 . . . . 0.95 108.734 -177.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.477 ' HB2' HG23 ' A' ' 64' ' ' VAL . 68.6 Cg_exo -53.77 125.5 18.84 Favored 'Trans proline' 0 C--O 1.246 0.907 0 C-N-CA 122.77 2.313 . . . . 0.69 111.768 177.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.612 ' O ' ' HG2' ' A' ' 46' ' ' MET . 5.0 p-10 -63.53 -35.95 82.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.19 -0.914 . . . . 2.19 112.604 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.05 -25.37 65.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.72 0.771 . . . . 2.48 110.628 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 61' ' ' PRO . 94.2 t -72.61 -44.45 60.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 CA-C-N 114.751 -1.113 . . . . 0.56 109.031 177.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.407 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -57.88 -41.33 82.31 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 115.541 -0.754 . . . . 0.51 109.196 176.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.45 53.98 4.62 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.04 -0.824 . . . . 0.97 111.04 175.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -153.28 -36.8 0.1 Allowed 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 123.382 0.673 . . . . 3.52 109.707 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 73' ' ' GLU . 34.8 m -58.54 111.5 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-O 121.642 0.734 . . . . 0.5 111.79 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -73.32 -43.24 61.2 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-O 121.437 0.636 . . . . 1.88 110.174 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.605 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 36.5 p -109.57 145.63 32.34 Favored Pre-proline 0 N--CA 1.418 -2.057 0 CA-C-N 115.098 -0.955 . . . . 0.43 110.871 -177.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.82 -17.54 55.79 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.623 2.882 . . . . 0.34 112.447 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.511 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 20.3 ttm180 -62.87 -37.01 85.17 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.951 -1.129 . . . . 2.05 107.951 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.538 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 33.7 mt-10 -72.46 -36.56 68.52 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.876 -1.056 . . . . 2.23 110.324 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.89 -41.72 77.89 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.198 -1.038 . . . . 1.17 108.198 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.466 ' HB2' HD22 ' A' ' 10' ' ' LEU . 49.1 tp -60.26 -44.91 94.89 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.932 -0.766 . . . . 0.6 108.932 176.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.11 -39.78 83.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.596 -1.183 . . . . 0.89 111.587 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 81.5 mt -57.58 -51.35 69.84 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 109.912 -0.403 . . . . 1.06 109.912 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.565 HG21 ' HG ' ' A' ' 5' ' ' LEU . 42.6 mm -61.76 -59.41 4.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.859 -0.61 . . . . 0.62 110.807 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.56 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.6 m120 -56.5 -44.01 80.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.696 0.284 . . . . 1.45 111.234 -176.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.92 80.68 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 116.165 -0.47 . . . . 0.48 112.735 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.24 -36.67 79.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.809 0.304 . . . . 0.56 111.302 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.9 -19.56 65.18 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 112.247 0.462 . . . . 0.72 112.247 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.847 0 CA-C-O 121.067 0.461 . . . . 0.93 110.191 177.139 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.429 -1.491 0 N-CA-C 106.554 -1.647 . . . . 1.7 106.554 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 79' ' ' ASN . 77.9 mt -93.36 132.44 37.58 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.775 -0.578 . . . . 1.02 111.028 -175.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 2.5 pt? -70.79 151.51 44.75 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-N 115.443 -0.799 . . . . 1.37 109.109 175.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.4 p -91.08 -170.69 2.74 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 116.442 -0.345 . . . . 0.88 110.156 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.2 m -67.06 -42.37 84.88 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 109.332 -0.618 . . . . 0.7 109.332 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.9 m-20 -67.32 -29.1 68.58 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.814 -0.63 . . . . 2.29 112.332 -177.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 21.3 m-20 -65.68 -41.58 92.27 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 120.785 -0.366 . . . . 1.83 110.293 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.747 HD22 ' HB2' ' A' ' 75' ' ' LEU . 52.6 tp -67.84 -44.55 76.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.87 -0.789 . . . . 0.75 108.87 176.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 73.9 ttt180 -49.68 -56.41 10.24 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.955 1.302 . . . . 2.88 111.698 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 41.0 mtt180 -60.6 -45.83 92.52 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.666 -0.494 . . . . 3.46 109.666 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.12 93.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.886 . . . . 0.63 112.986 -175.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.3 tp -71.11 -47.62 57.02 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 116.246 -0.434 . . . . 0.62 110.708 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.28 -31.72 55.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.452 0.644 . . . . 0.74 109.982 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -64.07 -25.52 68.14 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.353 -0.839 . . . . 2.04 110.244 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 116.149 -0.478 . . . . 1.3 111.996 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 p90 . . . . . 0 C--O 1.211 -0.935 0 CA-C-O 120.965 0.412 . . . . 0.73 110.763 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.734 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.4 mm? -77.28 -22.11 52.58 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.136 -0.484 . . . . 1.26 110.55 -175.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.76 -22.47 29.61 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.627 0.579 . . . . 2.24 109.839 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.41 145.25 45.97 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 115.195 -0.911 . . . . 1.73 109.227 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -89.36 146.51 24.64 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 120.116 -0.634 . . . . 3.1 110.194 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 43.6 m-85 -62.42 -30.57 71.32 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.961 0.41 . . . . 0.43 110.627 177.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.34 -37.97 87.67 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.26 -0.882 . . . . 2.48 109.191 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -74.62 -24.15 58.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.386 -0.825 . . . . 2.01 111.355 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.413 HG12 ' HA ' ' A' ' 35' ' ' PHE . 33.5 pt -103.46 18.05 4.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.104 0.478 . . . . 0.65 111.891 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.75 22.54 70.13 Favored Glycine 0 CA--C 1.525 0.675 0 CA-C-N 115.785 -0.643 . . . . 0.55 114.658 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -89.72 145.31 25.3 Favored 'General case' 0 N--CA 1.428 -1.565 0 O-C-N 122.275 -0.544 . . . . 1.1 111.521 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.523 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.7 p30 -112.58 162.62 15.46 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.738 -1.119 . . . . 1.89 110.268 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -55.81 -37.44 68.65 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 125.263 1.425 . . . . 0.88 112.295 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.03 -46.51 84.13 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.166 -0.47 . . . . 1.7 109.812 -176.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.11 -30.7 71.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.175 -0.92 . . . . 0.46 111.257 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 58.8 mt -74.06 -43.24 58.51 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.22 -0.445 . . . . 0.31 110.203 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 68.2 mtm -66.42 -39.03 88.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.9 -0.591 . . . . 1.7 109.655 178.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -57.59 -35.26 70.18 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.386 1.074 . . . . 1.92 109.257 176.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.586 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 85.2 m -72.6 -58.74 3.13 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.041 -0.981 . . . . 0.43 110.715 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.88 -43.79 66.39 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 111.978 0.362 . . . . 0.29 111.978 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.6 66.63 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.289 0.848 . . . . 0.38 113.289 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.586 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.6 ptp180 -84.53 -23.43 29.77 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.675 0.75 . . . . 2.54 109.944 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.402 HD13 HG13 ' A' ' 78' ' ' ILE . 97.1 mt -77.54 -33.43 54.16 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.663 -0.698 . . . . 0.4 109.869 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -55.75 -53.4 57.05 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.189 -0.914 . . . . 0.64 111.792 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.4 p -67.33 -27.85 67.48 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.628 -0.715 . . . . 1.33 111.938 -176.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -82.44 -45.51 14.68 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 120.509 -0.476 . . . . 3.79 111.746 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -97.63 4.93 50.03 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 114.592 1.33 . . . . 1.17 114.592 -174.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.18 58.35 8.17 Favored Glycine 0 C--N 1.315 -0.629 0 C-N-CA 120.693 -0.765 . . . . 0.91 112.6 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.97 147.46 21.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 N-CA-C 108.486 -0.931 . . . . 1.17 108.486 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 t -118.59 113.29 21.02 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.891 -0.781 . . . . 1.6 108.891 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.515 HD12 HD13 ' A' ' 78' ' ' ILE . 72.8 mt -130.33 130.21 22.98 Favored Pre-proline 0 C--N 1.303 -1.422 0 N-CA-C 108.337 -0.986 . . . . 0.95 108.337 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -57.31 120.34 8.19 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.959 1.772 . . . . 0.69 110.039 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 46' ' ' MET . 7.8 p-10 -61.4 -23.92 66.14 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 112.179 0.437 . . . . 2.19 112.179 -175.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -57.95 -29.3 65.07 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 120.921 0.391 . . . . 2.48 111.754 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.7 t -68.89 -28.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.274 0.559 . . . . 0.56 110.313 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.92 -9.85 58.97 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-N 115.957 -0.565 . . . . 0.51 110.346 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.41 18.55 57.28 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.698 -0.961 . . . . 0.97 110.698 176.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -131.6 2.22 4.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.383 0.611 . . . . 3.52 109.4 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 m -85.54 126.64 40.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.463 0.649 . . . . 0.5 110.08 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -92.01 -39.38 11.69 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.27 -0.877 . . . . 1.88 110.656 -172.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 36.7 p -119.42 153.06 53.62 Favored Pre-proline 0 C--N 1.309 -1.177 0 CA-C-N 115.459 -0.792 . . . . 0.43 109.575 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.441 ' HG3' ' CE1' ' A' ' 35' ' ' PHE . 46.7 Cg_exo -59.56 -23.33 70.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 123.092 2.528 . . . . 0.34 112.323 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.734 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 42.7 ttm180 -60.63 -41.34 94.68 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 109.777 -0.453 . . . . 2.05 109.777 178.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 45.2 mt-10 -69.26 -38.69 78.53 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 123.341 0.401 . . . . 2.23 110.886 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.7 -42.24 95.44 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.232 -1.025 . . . . 1.17 108.232 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.747 ' HB2' HD22 ' A' ' 10' ' ' LEU . 46.0 tp -66.76 -43.03 85.18 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.455 -0.793 . . . . 0.6 109.579 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.25 -34.33 77.44 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 114.772 -1.104 . . . . 0.89 111.303 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 66.8 mt -57.48 -51.23 70.31 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.937 0.399 . . . . 1.06 110.01 175.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.515 HD13 HD12 ' A' ' 60' ' ' ILE . 31.3 mm -67.71 -57.07 10.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.47 -0.786 . . . . 0.62 109.139 -178.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.401 ' HA ' HD22 ' A' ' 4' ' ' LEU . 11.5 m120 -51.5 -49.24 62.25 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 123.433 0.458 . . . . 1.45 111.768 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.26 -47.35 88.68 Favored Glycine 0 CA--C 1.499 -0.945 0 CA-C-N 115.942 -0.572 . . . . 0.48 113.072 -176.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.19 85.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.965 0.412 . . . . 0.56 110.953 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.69 -47.66 65.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.946 -0.57 . . . . 0.72 110.791 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.533 0 CA-C-O 121.326 0.584 . . . . 0.93 111.091 -179.253 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.425 -1.691 0 N-CA-C 109.421 -0.585 . . . . 1.7 109.421 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.8 mt -60.13 120.68 10.2 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 108.746 -0.835 . . . . 1.02 108.746 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 4.5 pp -82.2 153.34 26.0 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 116.057 -0.52 . . . . 1.37 110.314 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.8 p -113.42 -168.62 1.36 Allowed 'General case' 0 N--CA 1.426 -1.634 0 N-CA-C 112.176 0.436 . . . . 0.88 112.176 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.5 m -48.96 -54.87 13.74 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 125.289 1.436 . . . . 0.7 112.452 -177.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.475 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 19.6 m-20 -70.44 -27.64 64.41 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.708 0.633 . . . . 2.29 112.708 -175.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 15.9 m-20 -63.85 -50.15 69.99 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 108.934 -0.765 . . . . 1.83 108.934 175.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.69 -46.09 91.17 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 114.956 -1.02 . . . . 0.75 109.044 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 15' ' ' VAL . 69.0 ttt180 -45.97 -60.61 2.16 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.203 1.401 . . . . 2.88 112.126 177.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 99.3 mtt180 -59.46 -45.75 90.74 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.275 -0.421 . . . . 3.46 111.483 -176.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 16' ' ' GLU . . . -67.69 -35.95 79.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.591 -0.731 . . . . 0.63 111.15 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.514 HD13 HG21 ' A' ' 48' ' ' THR . 60.0 tp -74.66 -27.96 60.64 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 115.801 -0.636 . . . . 0.62 111.28 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 11' ' ' ARG . 85.5 t -68.95 -36.33 73.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.534 -0.913 . . . . 0.74 108.534 173.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 55.1 mt-10 -60.65 -43.99 96.93 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.027 -0.988 . . . . 2.04 112.339 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.5 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 17.7 m . . . . . 0 C--O 1.247 0.935 0 C-N-CA 123.042 0.537 . . . . 1.3 111.748 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.791 ' HA ' HD13 ' A' ' 33' ' ' LEU . 48.8 p90 . . . . . 0 N--CA 1.441 -0.911 0 N-CA-C 109.951 -0.389 . . . . 0.73 109.951 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.635 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 3.2 mm? -69.88 -18.51 63.41 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 112.936 0.717 . . . . 1.26 112.936 -172.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.437 ' HB2' HH22 ' A' ' 72' ' ' ARG . 18.5 t70 -97.84 -10.25 25.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.296 0.569 . . . . 2.24 110.665 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.791 HD13 ' HA ' ' A' ' 30' ' ' PHE . 8.0 mp -77.93 108.55 11.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.333 -0.394 . . . . 1.73 110.621 -177.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -57.04 141.62 45.07 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 115.781 -0.645 . . . . 3.1 111.917 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.506 ' HA ' HG12 ' A' ' 38' ' ' ILE . 59.5 m-85 -62.74 -34.71 77.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.476 -0.784 . . . . 0.43 111.661 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.59 -38.23 74.52 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.267 0.556 . . . . 2.48 110.389 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -75.24 -37.81 60.86 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.462 -0.79 . . . . 2.01 111.09 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.506 HG12 ' HA ' ' A' ' 35' ' ' PHE . 37.1 pt -88.66 21.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 112.624 0.601 . . . . 0.65 112.624 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.49 32.99 85.14 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 115.848 -0.614 . . . . 0.55 114.42 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.5 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 1.1 m-85 -102.01 146.12 28.34 Favored 'General case' 0 N--CA 1.416 -2.173 0 N-CA-C 113.67 0.989 . . . . 1.1 113.67 -178.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.556 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 23.0 m-20 -107.58 160.37 15.73 Favored 'General case' 0 CA--C 1.482 -1.639 0 CA-C-N 114.332 -1.304 . . . . 1.89 109.344 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 m -66.74 -37.2 84.19 Favored 'General case' 0 C--N 1.289 -2.037 0 CA-C-N 115.692 -0.686 . . . . 0.88 111.274 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.434 HD13 ' SD ' ' A' ' 46' ' ' MET . 3.9 mm? -68.25 -28.71 67.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.657 0.741 . . . . 1.7 109.707 176.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.54 -25.19 49.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.268 -0.878 . . . . 0.46 109.699 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 84.7 mt -73.9 -36.26 64.75 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 116.049 -0.523 . . . . 0.31 110.021 176.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.434 ' SD ' HD13 ' A' ' 43' ' ' LEU . 57.8 mtt -64.45 -41.13 96.72 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.615 -0.883 . . . . 1.7 108.615 175.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -60.06 -32.1 70.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.23 1.012 . . . . 1.92 110.408 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.541 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 85.2 m -78.48 -45.54 21.84 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.608 -0.724 . . . . 0.43 110.665 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -64.62 -46.61 81.89 Favored 'General case' 0 C--N 1.312 -1.022 0 O-C-N 122.261 -0.274 . . . . 0.29 111.026 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.69 -37.01 70.29 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.488 0.921 . . . . 0.38 113.488 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.541 ' HD2' ' HA ' ' A' ' 48' ' ' THR . 3.6 ptm85 -67.87 -30.26 69.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.529 0.681 . . . . 2.54 109.974 -178.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.427 HD22 HD22 ' A' ' 5' ' ' LEU . 72.9 mt -83.79 -36.03 23.85 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.444 -0.798 . . . . 0.4 109.266 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 43.6 mt-10 -57.48 -54.34 47.97 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.363 -0.835 . . . . 0.64 109.914 176.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.6 t -61.66 -22.82 65.63 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.863 -1.062 . . . . 1.33 111.139 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -85.61 -54.37 4.59 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 120.796 -0.362 . . . . 3.79 111.678 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.454 ' CE2' HD23 ' A' ' 5' ' ' LEU . 92.1 m-85 -101.05 -12.86 18.52 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 115.003 1.483 . . . . 1.17 115.003 -171.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.87 35.7 8.94 Favored Glycine 0 C--N 1.315 -0.618 0 C-N-CA 119.998 -1.096 . . . . 0.91 113.068 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.516 ' HB ' HD21 ' A' ' 82' ' ' LEU . 3.7 p -102.29 134.42 43.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 107.665 -1.235 . . . . 1.17 107.665 176.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.7 p -102.17 109.91 21.74 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 118.539 0.609 . . . . 1.6 111.17 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.9 mt -118.52 108.26 41.76 Favored Pre-proline 0 C--N 1.305 -1.328 0 N-CA-C 110.002 -0.37 . . . . 0.95 110.002 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.478 ' HD2' HG21 ' A' ' 64' ' ' VAL . 50.9 Cg_exo -57.58 154.01 38.94 Favored 'Trans proline' 0 C--O 1.253 1.246 0 C-N-CA 122.578 2.186 . . . . 0.69 111.479 176.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -59.69 -42.11 92.22 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.552 -0.749 . . . . 2.19 110.563 -175.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -55.29 -45.7 76.22 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 115.753 -0.658 . . . . 2.48 110.89 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.478 HG21 ' HD2' ' A' ' 61' ' ' PRO . 53.6 t -59.91 -58.86 5.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.222 -0.899 . . . . 0.56 109.91 -178.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -59.08 -33.77 71.2 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.442 -0.799 . . . . 0.51 112.069 -177.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.89 -7.09 88.96 Favored Glycine 0 C--N 1.316 -0.53 0 C-N-CA 120.6 -0.809 . . . . 0.97 113.663 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -106.14 -0.25 24.83 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 113.642 0.979 . . . . 3.52 113.642 -177.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 65' ' ' ALA . 27.8 m -79.33 131.92 33.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 C-N-CA 120.082 -0.647 . . . . 0.5 110.601 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -95.69 -39.6 9.8 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.459 0.647 . . . . 1.88 110.542 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 34.6 p -116.46 146.59 37.8 Favored Pre-proline 0 C--N 1.297 -1.683 0 CA-C-N 115.62 -0.718 . . . . 0.43 110.686 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.635 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 51.4 Cg_exo -58.21 -24.84 69.12 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.529 2.819 . . . . 0.34 112.562 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.437 HH22 ' HB2' ' A' ' 32' ' ' ASP . 44.4 ttm180 -56.8 -39.08 73.49 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.538 0.735 . . . . 2.05 109.778 176.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.622 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 38.3 mt-10 -70.81 -43.89 67.68 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.296 -0.865 . . . . 2.23 110.551 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.37 -43.97 92.84 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.426 -0.953 . . . . 1.17 108.426 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.25 -39.51 94.8 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.705 -0.68 . . . . 0.6 109.905 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.59 -38.42 90.95 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.424 -0.807 . . . . 0.89 110.823 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 97.6 mt -57.74 -46.08 84.97 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.192 0.597 . . . . 1.06 109.994 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.434 HG21 ' HG ' ' A' ' 5' ' ' LEU . 49.8 mm -65.45 -62.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 114.972 -1.013 . . . . 0.62 109.445 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -52.82 -47.04 67.94 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.655 -0.702 . . . . 1.45 112.161 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.62 -47.07 92.04 Favored Glycine 0 N--CA 1.446 -0.65 0 O-C-N 123.442 0.464 . . . . 0.48 113.452 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB3' HG23 ' A' ' 58' ' ' VAL . . . -72.03 -36.81 69.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.046 0.45 . . . . 0.56 111.597 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.516 HD21 ' HB ' ' A' ' 58' ' ' VAL . 84.4 mt -74.75 -17.58 60.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.406 -0.361 . . . . 0.72 111.043 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 121.454 0.645 . . . . 0.93 109.655 175.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 109.543 -0.539 . . . . 1.7 109.543 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 79' ' ' ASN . 22.9 mt -63.42 119.81 10.44 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.038 -1.097 . . . . 1.02 108.038 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.531 ' HG ' ' OD1' ' A' ' 79' ' ' ASN . 4.4 pp -62.9 140.23 58.8 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 123.629 0.581 . . . . 1.37 110.56 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -85.1 -174.91 5.51 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 116.132 -0.486 . . . . 0.88 110.683 -177.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -68.03 -32.26 72.5 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 108.835 -0.802 . . . . 0.7 108.835 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.95 -42.84 76.12 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.564 -0.744 . . . . 2.29 110.181 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.472 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 30.2 m-20 -63.98 -43.65 95.09 Favored 'General case' 0 CA--C 1.495 -1.16 0 CA-C-N 115.82 -0.627 . . . . 1.83 110.448 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.715 HD22 ' HB2' ' A' ' 75' ' ' LEU . 59.2 tp -62.35 -46.64 87.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.573 -0.74 . . . . 0.75 109.523 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.0 ttp180 -53.95 -56.95 13.11 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.445 -0.798 . . . . 2.88 111.669 179.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -58.93 -34.45 71.75 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.71 0.633 . . . . 3.46 112.71 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HB1' ' HD2' ' A' ' 51' ' ' ARG . . . -76.24 -34.46 59.2 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.18 0.514 . . . . 0.63 111.623 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.0 tp -79.73 -32.87 41.18 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 120.958 0.409 . . . . 0.62 109.989 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 11' ' ' ARG . 88.9 t -67.91 -29.86 46.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 109.249 -0.649 . . . . 0.74 109.249 174.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -57.32 -53.22 60.57 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.44 0.696 . . . . 2.04 110.431 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.589 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 5.1 m . . . . . 0 CA--C 1.544 0.722 0 CA-C-O 120.973 0.416 . . . . 1.3 110.262 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.8 p90 . . . . . 0 C--O 1.214 -0.807 0 N-CA-C 112.414 0.524 . . . . 0.73 112.414 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.723 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.9 mm? -78.73 -21.37 48.13 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.278 -0.569 . . . . 1.26 111.902 -173.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -102.73 -7.31 21.79 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-O 121.477 0.656 . . . . 2.24 110.902 -177.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt -75.91 133.15 40.59 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.457 -0.942 . . . . 1.73 108.457 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -75.74 150.86 37.73 Favored 'General case' 0 C--N 1.298 -1.674 0 C-N-CA 120.844 -0.343 . . . . 3.1 110.765 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.466 ' HD1' HD11 ' A' ' 38' ' ' ILE . 59.0 m-85 -65.41 -26.76 68.13 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.497 -0.32 . . . . 0.43 111.11 177.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.13 -34.61 73.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.214 0.53 . . . . 2.48 109.937 175.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.27 -41.27 66.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.084 0.469 . . . . 2.01 110.626 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.466 HD11 ' HD1' ' A' ' 35' ' ' PHE . 31.8 pt -85.16 3.41 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.32 0.581 . . . . 0.65 111.87 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.32 47.24 72.66 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.319 -0.855 . . . . 0.55 113.122 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.589 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 0.2 OUTLIER -99.3 142.47 30.75 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 110.072 -0.344 . . . . 1.1 110.072 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -95.09 162.86 13.54 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.209 -1.034 . . . . 1.89 108.209 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.487 ' O ' ' HG3' ' A' ' 46' ' ' MET . 14.0 m -70.58 -36.89 73.82 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 122.925 0.49 . . . . 0.88 110.619 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.9 -30.73 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.899 -0.778 . . . . 1.7 108.899 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.1 -37.03 83.22 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.103 -0.953 . . . . 0.46 109.761 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.99 -40.44 83.09 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 116.016 -0.538 . . . . 0.31 110.059 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.531 ' SD ' ' HB3' ' A' ' 62' ' ' ASP . 64.7 mtt -63.86 -35.37 80.4 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.441 -0.8 . . . . 1.7 110.537 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.36 -41.91 69.13 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 109.247 -0.649 . . . . 1.92 109.247 176.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.558 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 89.9 m -60.48 -47.43 86.18 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.445 -0.798 . . . . 0.43 110.547 178.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.39 85.49 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.023 0.44 . . . . 0.29 110.273 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.89 87.0 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 115.805 -0.634 . . . . 0.38 112.652 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.8 ptp180 -67.3 -31.08 71.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.046 -0.661 . . . . 2.54 109.331 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 78' ' ' ILE . 99.0 mt -72.64 -34.04 67.03 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.286 -0.87 . . . . 0.4 110.191 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.501 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 45.2 mt-10 -59.11 -53.76 54.72 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.972 -0.751 . . . . 0.64 108.972 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 t -65.55 -23.85 66.96 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 113.989 -1.459 . . . . 1.33 111.425 -175.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -89.73 -53.44 4.51 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.305 -0.407 . . . . 3.79 111.799 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -90.14 -16.7 29.05 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 114.027 1.121 . . . . 1.17 114.027 -171.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.24 68.9 1.21 Allowed Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.007 -1.092 . . . . 0.91 112.711 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.548 ' HB ' HD23 ' A' ' 82' ' ' LEU . 9.6 p -153.61 168.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.524 -1.287 . . . . 1.17 107.524 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.501 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 52.8 m -137.0 115.54 11.95 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-O 121.337 0.589 . . . . 1.6 109.525 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.6 HD12 HD13 ' A' ' 78' ' ' ILE . 71.9 mt -131.32 121.49 18.54 Favored Pre-proline 0 C--N 1.308 -1.205 0 CA-C-N 115.333 -0.848 . . . . 0.95 109.332 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.402 ' HB2' HG23 ' A' ' 64' ' ' VAL . 72.2 Cg_exo -55.91 141.9 85.18 Favored 'Trans proline' 0 C--O 1.244 0.782 0 C-N-CA 123.239 2.626 . . . . 0.69 112.661 178.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.531 ' HB3' ' SD ' ' A' ' 46' ' ' MET . 4.7 m-20 -53.27 -42.88 66.98 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.013 0.925 . . . . 2.19 111.232 -178.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -61.46 -16.77 50.31 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.107 0.78 . . . . 2.48 113.107 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' A' ' 61' ' ' PRO . 47.4 t -78.81 -32.07 15.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.671 0.748 . . . . 0.56 109.507 178.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.95 -1.56 29.29 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.532 -0.758 . . . . 0.51 110.955 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.8 -7.13 81.78 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 110.886 -0.886 . . . . 0.97 110.886 176.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 48.5 mtm105 -105.24 -0.9 25.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.301 0.482 . . . . 3.52 112.301 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m -91.77 104.44 15.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 108.588 -0.893 . . . . 0.5 108.588 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -85.06 -30.18 24.31 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.334 -0.848 . . . . 1.88 111.769 -174.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.413 ' OG1' ' HG2' ' A' ' 73' ' ' GLU . 43.8 p -124.41 154.21 69.25 Favored Pre-proline 0 N--CA 1.433 -1.297 0 N-CA-C 109.201 -0.666 . . . . 0.43 109.201 178.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.63 -27.06 81.67 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 123.424 2.749 . . . . 0.34 113.528 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.723 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 35.6 ttm105 -59.41 -43.67 92.96 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 109.455 -0.572 . . . . 2.05 109.455 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.413 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 11.1 mm-40 -67.42 -40.54 85.54 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 114.48 -1.236 . . . . 2.23 109.639 -177.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.69 -43.63 96.08 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.571 -0.9 . . . . 1.17 108.571 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.715 ' HB2' HD22 ' A' ' 10' ' ' LEU . 5.0 tt -59.13 -51.13 71.36 Favored 'General case' 0 C--O 1.246 0.89 0 N-CA-C 108.495 -0.928 . . . . 0.6 108.495 178.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.6 -38.69 91.13 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.298 -1.319 . . . . 0.89 111.187 -177.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.49 -50.11 74.92 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 123.136 0.575 . . . . 1.06 111.262 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.6 HD13 HD12 ' A' ' 60' ' ' ILE . 47.8 mm -65.26 -60.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.243 -0.435 . . . . 0.62 110.527 -178.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.54 ' HB3' HD22 ' A' ' 4' ' ' LEU . 80.4 m-20 -63.63 -34.56 78.1 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 112.434 0.531 . . . . 1.45 112.434 -175.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.7 -41.35 98.96 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 111.273 -0.731 . . . . 0.48 111.273 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.28 -35.6 66.18 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 123.774 0.338 . . . . 0.56 110.393 178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.548 HD23 ' HB ' ' A' ' 58' ' ' VAL . 89.7 mt -58.46 -43.15 88.75 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.378 0.609 . . . . 0.72 110.914 176.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 115.677 -0.692 . . . . 0.93 111.22 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.415 -2.223 0 CA-C-O 121.866 0.841 . . . . 1.7 108.837 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.42 125.04 25.48 Favored 'General case' 0 N--CA 1.425 -1.712 0 N-CA-C 108.097 -1.075 . . . . 1.02 108.097 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.4 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 2.1 pt? -64.44 142.48 58.41 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.757 -0.656 . . . . 1.37 110.067 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.5 p -88.39 -170.86 3.12 Favored 'General case' 0 N--CA 1.411 -2.378 0 CA-C-N 116.184 -0.462 . . . . 0.88 110.002 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -71.38 -13.51 61.88 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.115 0.483 . . . . 0.7 110.953 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.91 -49.08 76.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 123.747 0.819 . . . . 2.29 110.294 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.523 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 14.2 m-20 -69.2 -38.34 78.57 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 115.679 -0.691 . . . . 1.83 110.401 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.542 HD22 ' HB2' ' A' ' 75' ' ' LEU . 40.8 tp -60.76 -47.09 87.86 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.148 -0.686 . . . . 0.75 109.148 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -54.78 -61.71 2.13 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.531 1.132 . . . . 2.88 110.762 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 14.6 ptm180 -59.75 -35.8 75.32 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 112.172 0.434 . . . . 3.46 112.172 -176.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.518 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . . . -71.44 -40.75 70.19 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.223 0.535 . . . . 0.63 111.319 -178.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.6 tp -72.72 -39.36 67.01 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.933 -0.576 . . . . 0.62 110.499 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.1 t -63.94 -44.14 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.973 -0.751 . . . . 0.74 108.973 175.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 35.7 tt0 -62.57 -19.31 63.57 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.564 0.746 . . . . 2.04 111.93 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 121.203 0.525 . . . . 1.3 110.935 178.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.911 ' HA ' HD13 ' A' ' 33' ' ' LEU . 54.3 p90 . . . . . 0 N--CA 1.441 -0.9 0 CA-C-O 120.592 0.234 . . . . 0.73 111.142 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.52 ' O ' ' HB ' ' A' ' 70' ' ' THR . 5.6 mp -67.79 -26.56 66.15 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.208 0.818 . . . . 1.26 113.208 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -101.15 -0.93 35.18 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.644 0.735 . . . . 2.24 110.952 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.911 HD13 ' HA ' ' A' ' 30' ' ' PHE . 9.8 mp -77.81 99.54 5.96 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.577 -0.527 . . . . 1.73 109.577 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -51.03 140.17 16.25 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.63 0.772 . . . . 3.1 111.911 -178.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.587 ' HA ' HG12 ' A' ' 38' ' ' ILE . 64.7 m-85 -64.22 -31.63 72.91 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.156 -0.475 . . . . 0.43 109.752 177.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.38 -24.82 68.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.816 -1.083 . . . . 2.48 110.226 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -88.84 -36.7 15.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.107 -0.497 . . . . 2.01 110.665 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.587 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.7 pt -86.13 4.81 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.642 0.608 . . . . 0.65 112.642 -178.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.67 25.2 54.22 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.249 -0.5 . . . . 0.55 114.116 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.43 136.41 39.41 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 122.326 -0.514 . . . . 1.1 111.138 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -89.35 145.99 24.98 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.76 -1.2 . . . . 1.89 107.76 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.472 ' HA ' HD12 ' A' ' 45' ' ' LEU . 14.7 m -63.18 -20.5 65.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.532 0.682 . . . . 0.88 111.128 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 tt -72.08 -33.45 67.91 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.497 -0.927 . . . . 1.7 108.497 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.76 -28.24 58.38 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.044 0.449 . . . . 0.46 109.979 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 42' ' ' SER . 80.8 mt -64.32 -30.89 71.93 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 115.407 -0.815 . . . . 0.31 110.316 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.529 ' SD ' ' HB3' ' A' ' 62' ' ' ASP . 58.9 mtt -62.95 -37.95 89.1 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.716 -1.129 . . . . 1.7 109.172 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -72.32 -35.58 68.66 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.934 -0.765 . . . . 1.92 108.934 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.568 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 22.1 m -59.51 -52.71 64.39 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.548 -0.751 . . . . 0.43 109.206 176.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.15 90.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.172 -0.467 . . . . 0.29 110.833 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.635 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -55.58 -42.85 75.33 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.237 0.615 . . . . 0.38 112.361 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' A' ' 48' ' ' THR . 8.6 ptp180 -72.26 -27.96 62.82 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.102 -0.639 . . . . 2.54 110.286 -178.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.605 ' HA ' ' HB3' ' A' ' 55' ' ' ARG . 95.4 mt -75.18 -26.78 59.32 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.271 -0.422 . . . . 0.4 110.892 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.635 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 47.2 mt-10 -58.38 -50.31 74.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.64 109.929 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -77.39 -23.76 50.65 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.699 -0.682 . . . . 1.33 110.971 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.605 ' HB3' ' HA ' ' A' ' 52' ' ' LEU . 29.5 tpt180 -68.96 -42.89 76.03 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.228 0.611 . . . . 3.79 111.015 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.417 ' CD1' ' HG3' ' A' ' 55' ' ' ARG . 61.5 m-85 -117.21 3.11 12.64 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.004 1.483 . . . . 1.17 115.004 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.17 57.89 4.97 Favored Glycine 0 C--N 1.311 -0.819 0 C-N-CA 120.333 -0.937 . . . . 0.91 112.025 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.2 p -141.02 173.8 8.63 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 N-CA-C 107.973 -1.121 . . . . 1.17 107.973 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.9 m -138.38 126.22 22.42 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 123.112 0.565 . . . . 1.6 109.607 175.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.643 HD12 HD13 ' A' ' 78' ' ' ILE . 57.5 mt -134.56 120.59 14.66 Favored Pre-proline 0 C--N 1.305 -1.348 0 N-CA-C 109.294 -0.632 . . . . 0.95 109.294 -178.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.452 ' HB2' HG23 ' A' ' 64' ' ' VAL . 51.6 Cg_exo -56.46 146.05 76.38 Favored 'Trans proline' 0 C--O 1.251 1.163 0 C-N-CA 123.457 2.771 . . . . 0.69 113.228 -178.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.529 ' HB3' ' SD ' ' A' ' 46' ' ' MET . 7.6 m-20 -56.07 -44.87 79.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.89 -1.05 . . . . 2.19 110.187 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.583 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 6.2 t70 -52.94 -42.68 65.67 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.828 -0.623 . . . . 2.48 112.143 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' A' ' 61' ' ' PRO . 90.4 t -62.57 -51.2 75.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 C-N-CA 123.195 0.598 . . . . 0.56 110.297 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -64.76 -30.63 71.64 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.639 -0.71 . . . . 0.51 110.983 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.03 26.2 4.42 Favored Glycine 0 C--N 1.314 -0.684 0 C-N-CA 121.361 -0.447 . . . . 0.97 113.235 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 95.8 mtt180 -128.96 -12.06 4.73 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.373 -0.487 . . . . 3.52 110.897 177.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 65' ' ' ALA . 22.1 m -75.64 120.21 25.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 113.005 0.743 . . . . 0.5 113.005 -173.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.38 -54.0 24.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.45 -1.25 . . . . 1.88 111.598 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 59.6 p -122.81 160.84 47.29 Favored Pre-proline 0 N--CA 1.436 -1.166 0 CA-C-N 115.395 -0.82 . . . . 0.43 110.305 -174.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.76 -24.77 73.09 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 123.46 2.773 . . . . 0.34 112.61 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.492 ' HA ' ' HG ' ' A' ' 31' ' ' LEU . 31.0 ttm105 -58.52 -44.82 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.844 -0.799 . . . . 2.05 108.844 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 7.7 mm-40 -68.16 -38.29 81.92 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 114.793 -1.094 . . . . 2.23 109.716 -176.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.33 -44.22 79.63 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.537 -0.912 . . . . 1.17 108.537 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.542 ' HB2' HD22 ' A' ' 10' ' ' LEU . 50.0 tp -61.55 -42.21 98.49 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.307 -0.627 . . . . 0.6 109.307 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.54 -37.35 75.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.495 -1.23 . . . . 0.89 111.164 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 87.9 mt -59.95 -50.75 72.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.099 0.476 . . . . 1.06 110.382 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.643 HD13 HD12 ' A' ' 60' ' ' ILE . 21.1 mm -66.66 -46.99 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.009 -0.737 . . . . 0.62 109.009 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -54.71 -51.3 66.0 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.935 -0.575 . . . . 1.45 111.223 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.76 -47.8 88.04 Favored Glycine 0 N--CA 1.449 -0.464 0 O-C-N 123.694 0.621 . . . . 0.48 112.694 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.81 80.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.875 0.369 . . . . 0.56 111.898 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.2 mt -79.14 -24.34 43.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.487 -0.324 . . . . 0.72 111.545 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.826 0 CA-C-O 120.87 0.367 . . . . 0.93 110.681 -179.805 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.432 -1.348 0 CA-C-O 122.159 0.98 . . . . 1.7 110.111 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.688 HD22 ' HA ' ' A' ' 79' ' ' ASN . 81.3 mt -79.95 155.53 27.65 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.772 -0.649 . . . . 1.02 109.49 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.631 ' HG ' HG21 ' A' ' 78' ' ' ILE . 77.8 mt -76.05 144.71 40.62 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 110.019 -0.363 . . . . 1.37 110.019 -178.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 p -84.87 -177.72 6.65 Favored 'General case' 0 N--CA 1.414 -2.253 0 N-CA-C 108.342 -0.984 . . . . 0.88 108.342 170.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.48 HG23 HD21 ' A' ' 31' ' ' LEU . 26.1 m -69.76 -47.41 63.08 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.263 -1.014 . . . . 0.7 108.263 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.559 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 2.1 p-10 -68.4 -33.32 74.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.565 -0.743 . . . . 2.29 111.624 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.8 -45.54 81.98 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.757 -0.46 . . . . 1.83 109.757 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.565 HD22 ' HB2' ' A' ' 75' ' ' LEU . 61.6 tp -61.8 -44.94 95.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.309 -0.86 . . . . 0.75 109.539 177.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.569 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.9 ttm180 -53.25 -55.24 26.09 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 115.331 -0.849 . . . . 2.88 110.702 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 42.1 mtp85 -61.64 -42.31 98.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.04 -0.527 . . . . 3.46 111.255 -176.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.81 98.65 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.597 0.713 . . . . 0.63 110.67 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.593 HD13 HG21 ' A' ' 48' ' ' THR . 62.6 tp -75.28 -19.25 59.8 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.208 -0.906 . . . . 0.62 111.442 -178.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 11' ' ' ARG . 60.6 t -77.36 -54.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.609 -1.256 . . . . 0.74 107.609 172.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -56.77 -20.02 20.06 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.069 1.137 . . . . 2.04 114.069 -176.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 CA--C 1.549 0.909 0 N-CA-C 109.748 -0.464 . . . . 1.3 109.748 178.211 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.6 p90 . . . . . 0 C--O 1.213 -0.85 0 N-CA-C 113.322 0.86 . . . . 0.73 113.322 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.48 HD21 HG23 ' A' ' 7' ' ' THR . 3.2 mm? -69.46 -27.63 65.4 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 120.582 -0.447 . . . . 1.26 110.772 -176.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -96.47 9.53 41.07 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.492 -0.777 . . . . 2.24 111.367 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.8 mt -102.14 133.25 47.28 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.69 -1.226 . . . . 1.73 107.69 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -78.53 164.29 24.83 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.234 -0.654 . . . . 3.1 109.234 -177.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' HA ' HG12 ' A' ' 38' ' ' ILE . 68.1 m-85 -73.7 -27.78 61.39 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.97 -1.122 . . . . 0.43 107.97 175.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.82 -22.8 67.09 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.68 -1.146 . . . . 2.48 110.357 172.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -82.02 -42.66 19.01 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 116.108 -0.496 . . . . 2.01 110.619 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.488 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.2 pt -93.79 11.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 113.926 1.084 . . . . 0.65 113.926 -174.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.48 49.98 47.1 Favored Glycine 0 C--N 1.313 -0.748 0 C-N-CA 121.336 -0.459 . . . . 0.55 113.287 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -125.75 128.37 47.63 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 120.886 0.374 . . . . 1.1 111.329 179.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.506 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.0 m-20 -87.41 165.09 15.83 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.188 -0.671 . . . . 1.89 109.188 175.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.473 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 3.4 m -66.35 -28.89 69.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.067 0.937 . . . . 0.88 109.003 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.446 ' HA ' ' HE2' ' A' ' 46' ' ' MET . 81.7 mt -58.72 -49.47 77.47 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.131 -1.395 . . . . 1.7 110.273 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.86 -26.9 66.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.577 -0.738 . . . . 0.46 111.144 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 79.8 mt -67.19 -31.42 71.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.987 0.422 . . . . 0.31 111.21 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.557 ' SD ' ' HB2' ' A' ' 62' ' ' ASP . 55.8 mtm -69.13 -30.57 68.86 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.669 -0.493 . . . . 1.7 109.669 178.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.84 -44.48 66.37 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.279 -1.008 . . . . 1.92 108.279 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.593 HG21 HD13 ' A' ' 14' ' ' LEU . 60.0 m -59.14 -41.84 89.23 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.916 -0.584 . . . . 0.43 110.647 176.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -68.08 -40.54 82.67 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.458 -0.497 . . . . 0.29 110.61 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.84 -41.82 83.12 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.174 0.59 . . . . 0.38 112.418 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -68.31 -25.72 65.27 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.047 0.451 . . . . 2.54 110.974 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -83.4 -40.37 19.44 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 116.038 -0.528 . . . . 0.4 110.053 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 44.0 mt-10 -53.42 -59.02 5.12 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.292 0.637 . . . . 0.64 110.631 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 p -64.2 -28.85 70.03 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.156 -0.929 . . . . 1.33 112.802 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -85.69 -32.37 21.98 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 112.045 0.387 . . . . 3.79 112.045 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -107.99 -5.11 17.27 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 114.422 1.268 . . . . 1.17 114.422 -174.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.33 55.18 4.08 Favored Glycine 0 C--O 1.247 0.968 0 C-N-CA 120.978 -0.63 . . . . 0.91 112.682 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.0 p -154.2 175.17 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 107.547 -1.279 . . . . 1.17 107.547 -177.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -139.88 144.64 37.31 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-N 118.898 0.772 . . . . 1.6 110.131 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.493 HD11 HD13 ' A' ' 78' ' ' ILE . 69.8 mt -127.64 122.83 22.76 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 107.75 -1.204 . . . . 0.95 107.75 178.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.568 ' HB2' HG23 ' A' ' 64' ' ' VAL . 31.2 Cg_exo -60.05 140.72 93.97 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 122.542 2.161 . . . . 0.69 112.0 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.557 ' HB2' ' SD ' ' A' ' 46' ' ' MET . 4.6 p-10 -60.77 -34.42 74.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.267 -0.424 . . . . 2.19 111.641 -177.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -67.5 -20.21 65.42 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.038 0.447 . . . . 2.48 111.343 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.568 HG23 ' HB2' ' A' ' 61' ' ' PRO . 84.7 t -86.16 -53.33 10.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.287 0 CA-C-N 115.443 -0.799 . . . . 0.56 109.339 178.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.49 82.6 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.43 -0.804 . . . . 0.51 111.066 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 42' ' ' SER . . . -88.28 32.76 4.29 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.905 -0.664 . . . . 0.97 111.795 177.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 64' ' ' VAL . 59.3 ttt180 -137.32 -19.48 1.25 Allowed 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.388 0.675 . . . . 3.52 110.593 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 77' ' ' LEU . 28.5 m -68.84 131.17 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-O 121.663 0.744 . . . . 0.5 111.186 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -93.17 -38.33 11.63 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 114.725 -1.125 . . . . 1.88 111.327 -175.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.5 p -125.78 153.54 73.28 Favored Pre-proline 0 C--N 1.304 -1.411 0 CA-C-N 115.832 -0.622 . . . . 0.43 110.138 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.55 -20.42 70.64 Favored 'Trans proline' 0 C--N 1.367 1.549 0 C-N-CA 123.634 2.89 . . . . 0.34 112.268 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.5 -38.55 77.92 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.579 -0.737 . . . . 2.05 109.973 176.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.582 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.2 mt-10 -73.12 -42.06 63.31 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-N 115.216 -0.902 . . . . 2.23 110.005 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.98 -41.34 91.82 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 108.478 -0.934 . . . . 1.17 108.478 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.565 ' HB2' HD22 ' A' ' 10' ' ' LEU . 57.9 tp -64.07 -45.01 90.65 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.72 -0.673 . . . . 0.6 109.664 176.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -57.39 -41.0 79.41 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.43 -0.804 . . . . 0.89 111.901 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 65.5 mt -55.08 -42.29 72.65 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 123.695 0.622 . . . . 1.06 110.001 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.631 HG21 ' HG ' ' A' ' 5' ' ' LEU . 44.7 mm -73.39 -54.11 16.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 CA-C-N 115.443 -0.799 . . . . 0.62 109.788 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.688 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.0 m120 -52.19 -51.51 57.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.545 0.572 . . . . 1.45 112.545 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.24 -44.15 91.47 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.55 -0.357 . . . . 0.48 112.359 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.08 86.56 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.872 0.367 . . . . 0.56 111.685 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.2 mt -77.04 -14.32 59.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.004 0.372 . . . . 0.72 112.004 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.832 0.825 . . . . 0.93 108.974 174.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 N--CA 1.429 -1.477 0 CA-C-O 120.913 0.387 . . . . 1.7 110.177 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.6 mt -76.09 123.22 25.45 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 107.953 -1.128 . . . . 1.02 107.953 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.502 HD22 HD22 ' A' ' 52' ' ' LEU . 4.7 pp -79.52 152.67 30.05 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 120.992 -0.283 . . . . 1.37 111.434 -175.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p -83.77 -179.42 7.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.257 0.551 . . . . 0.88 111.583 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.7 m -81.19 -13.45 58.58 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 122.098 0.952 . . . . 0.7 108.783 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -79.48 -37.46 36.78 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 107.848 -1.167 . . . . 2.29 107.848 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.526 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 33.5 m-20 -65.52 -44.28 87.41 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.442 -0.799 . . . . 1.83 109.535 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.569 HD22 ' HB2' ' A' ' 75' ' ' LEU . 61.9 tp -54.93 -45.7 74.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.616 -0.72 . . . . 0.75 109.97 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -61.56 -59.67 4.87 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.465 -0.789 . . . . 2.88 111.184 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.526 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 16.2 ptm180 -54.49 -38.99 67.1 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.457 0.54 . . . . 3.46 112.457 -176.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.599 ' HB1' ' HD2' ' A' ' 51' ' ' ARG . . . -65.17 -51.98 57.76 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.343 0.592 . . . . 0.63 110.608 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.84 -42.73 97.53 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.792 -1.094 . . . . 0.62 110.801 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.77 -42.42 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.688 -0.687 . . . . 0.74 110.167 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.42 -35.23 65.8 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.585 -0.446 . . . . 2.04 110.617 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.609 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 74.5 m . . . . . 0 N--CA 1.447 -0.605 0 CA-C-O 120.923 0.392 . . . . 1.3 111.862 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.6 p90 . . . . . 0 C--O 1.206 -1.215 0 N-CA-C 109.246 -0.65 . . . . 0.73 109.246 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.65 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.2 mm? -72.38 -33.3 67.12 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.917 -0.583 . . . . 1.26 112.228 -173.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.566 ' HB3' HH22 ' A' ' 72' ' ' ARG . 4.1 p30 -103.27 5.4 37.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.664 0.268 . . . . 2.24 111.188 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.7 tp -73.17 108.61 6.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.124 -1.065 . . . . 1.73 108.124 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 35.0 mtm180 -69.49 131.28 44.48 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-O 120.957 0.408 . . . . 3.1 111.493 -174.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -55.0 -34.84 63.76 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.025 -0.989 . . . . 0.43 111.611 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.91 -38.69 70.57 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 123.813 0.696 . . . . 2.48 110.935 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.29 -39.71 62.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.034 -0.53 . . . . 2.01 110.985 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -88.04 21.65 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 113.294 0.85 . . . . 0.65 113.294 -176.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.08 13.15 79.49 Favored Glycine 0 C--O 1.239 0.407 0 CA-C-N 115.84 -0.618 . . . . 0.55 114.609 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -86.34 121.7 29.27 Favored 'General case' 0 N--CA 1.428 -1.525 0 CA-C-N 117.245 0.522 . . . . 1.1 111.544 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -85.95 149.21 25.36 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.518 -1.29 . . . . 1.89 107.518 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.497 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 14.4 m -60.43 -20.7 60.73 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.058 0.456 . . . . 0.88 111.912 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.13 -38.88 89.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.28 0.562 . . . . 1.7 109.634 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.32 -21.44 60.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.686 -0.688 . . . . 0.46 110.193 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.497 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 55.0 mt -73.49 -33.43 64.81 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.338 -0.616 . . . . 0.31 109.338 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 63.6 mtt -65.08 -44.29 89.37 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 107.957 -1.127 . . . . 1.7 107.957 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.609 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 12.1 tp10 -57.61 -34.5 69.34 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.001 0.92 . . . . 1.92 110.551 175.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.489 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 64.6 m -68.5 -55.86 10.33 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.902 -0.59 . . . . 0.43 109.958 177.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -61.6 -36.2 80.03 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.527 -0.306 . . . . 0.29 111.758 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -52.87 -45.49 67.47 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 123.967 0.907 . . . . 0.38 113.049 -178.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.599 ' HD2' ' HB1' ' A' ' 13' ' ' ALA . 10.0 ptp180 -69.24 -30.8 69.01 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.436 -0.506 . . . . 2.54 110.397 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.502 HD22 HD22 ' A' ' 5' ' ' LEU . 90.4 mt -75.73 -35.57 60.2 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.831 -0.622 . . . . 0.4 109.541 -178.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.545 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.4 mt-10 -57.84 -55.6 32.8 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.771 -0.825 . . . . 0.64 108.771 174.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.2 t -62.4 -34.81 77.46 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 114.965 -1.016 . . . . 1.33 112.517 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -77.34 -32.24 55.04 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.934 -0.706 . . . . 3.79 112.179 -176.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -107.47 -12.72 15.24 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.253 1.205 . . . . 1.17 114.253 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.92 65.5 1.7 Allowed Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.497 -0.859 . . . . 0.91 111.765 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 53' ' ' GLU . 8.3 p -146.24 168.71 6.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 N-CA-C 107.922 -1.14 . . . . 1.17 107.922 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 p -134.88 125.31 26.5 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 118.386 0.539 . . . . 1.6 110.054 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.842 HD12 HD13 ' A' ' 78' ' ' ILE . 54.8 mt -130.37 121.83 19.64 Favored Pre-proline 0 C--N 1.302 -1.47 0 CA-C-N 116.39 -0.368 . . . . 0.95 110.016 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HB2' HG23 ' A' ' 64' ' ' VAL . 51.4 Cg_exo -56.23 151.64 42.65 Favored 'Trans proline' 0 C--O 1.25 1.091 0 C-N-CA 123.516 2.811 . . . . 0.69 114.007 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.81 -54.79 33.41 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 126.23 1.812 . . . . 2.19 110.341 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -60.13 -27.26 66.91 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.785 -1.098 . . . . 2.48 112.171 -175.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.562 HG12 HD13 ' A' ' 77' ' ' LEU . 85.2 t -71.78 -58.69 4.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 109.396 -0.594 . . . . 0.56 109.396 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.74 -38.42 85.08 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.756 -0.657 . . . . 0.51 110.251 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.43 42.23 3.01 Favored Glycine 0 N--CA 1.436 -1.363 0 CA-C-N 115.712 -0.677 . . . . 0.97 112.326 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -134.53 -32.53 1.02 Allowed 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 122.688 0.395 . . . . 3.52 110.847 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.6 m -62.54 134.66 27.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 112.859 0.689 . . . . 0.5 112.859 -176.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 6.6 m-20 -93.18 -33.6 13.94 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 108.391 -0.966 . . . . 1.88 108.391 179.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.541 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 38.8 p -113.9 141.88 26.91 Favored Pre-proline 0 N--CA 1.436 -1.134 0 CA-C-N 115.048 -0.978 . . . . 0.43 111.671 -175.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 70' ' ' THR . 52.9 Cg_exo -61.03 -24.17 78.97 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.593 2.862 . . . . 0.34 111.83 178.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.65 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.7 ttm180 -59.17 -39.99 84.23 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.004 -0.544 . . . . 2.05 109.57 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.606 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.4 mm-40 -77.49 -33.45 54.48 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 115.92 -0.582 . . . . 2.23 110.925 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.66 -40.79 96.05 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.512 -0.921 . . . . 1.17 108.512 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HB2' HD22 ' A' ' 10' ' ' LEU . 46.5 tp -60.28 -45.92 91.63 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.871 0.843 . . . . 0.6 108.956 174.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.87 -36.92 85.92 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.247 -1.342 . . . . 0.89 111.835 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 87.1 mt -59.23 -52.38 65.92 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 110.265 -0.272 . . . . 1.06 110.265 177.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.842 HD13 HD12 ' A' ' 60' ' ' ILE . 41.3 mm -64.35 -63.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.333 -0.849 . . . . 0.62 110.056 -178.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.03 -34.51 73.48 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 122.946 0.498 . . . . 1.45 112.135 -175.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -39.67 90.24 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.155 -0.778 . . . . 0.48 111.155 177.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.45 -26.27 60.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.216 0.531 . . . . 0.56 110.142 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 78' ' ' ILE . 96.8 mt -70.83 -37.97 73.22 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.452 -0.573 . . . . 0.72 109.452 174.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 121.644 0.735 . . . . 0.93 110.708 176.291 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.406 HG23 ' HD1' ' A' ' 56' ' ' TYR . 5.6 t . . . . . 0 N--CA 1.421 -1.906 0 N-CA-C 107.579 -1.267 . . . . 1.7 107.579 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.546 ' HB2' HD22 ' A' ' 79' ' ' ASN . 4.0 pp -97.64 158.92 15.24 Favored 'General case' 0 N--CA 1.412 -2.347 0 CA-C-N 115.371 -0.831 . . . . 1.02 109.537 -179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.701 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 4.0 pp -104.58 148.92 25.98 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 112.189 0.44 . . . . 1.37 112.189 -175.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.6 p -96.46 -170.14 2.03 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 115.43 -0.804 . . . . 0.88 110.813 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.401 HG23 HD21 ' A' ' 31' ' ' LEU . 26.2 m -55.52 -54.51 43.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.685 0.794 . . . . 0.7 109.887 178.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -62.99 -32.22 73.51 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 113.568 0.951 . . . . 2.29 113.568 -179.19 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 49.6 m-20 -69.77 -42.04 74.34 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.384 -0.526 . . . . 1.83 109.623 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 75' ' ' LEU . 62.3 tp -65.23 -42.89 92.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.913 -0.773 . . . . 0.75 108.913 176.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 15' ' ' VAL . 56.3 ttt180 -49.64 -61.12 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.75 1.22 . . . . 2.88 111.249 176.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.484 ' HE ' ' HA ' ' A' ' 9' ' ' ASP . 17.4 ptt180 -65.11 -27.93 69.09 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.799 0.666 . . . . 3.46 112.799 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.419 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -72.99 -38.21 66.71 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.175 -0.466 . . . . 0.63 110.599 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.46 -40.07 67.29 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.959 -0.564 . . . . 0.62 109.529 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 11' ' ' ARG . 97.2 t -57.71 -35.2 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-O 121.44 0.638 . . . . 0.74 109.526 175.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -69.58 -35.15 75.08 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.996 -1.002 . . . . 2.04 110.531 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.444 -0.733 0 CA-C-N 116.399 -0.364 . . . . 1.3 110.949 178.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' HA ' HD12 ' A' ' 33' ' ' LEU . 24.5 p90 . . . . . 0 C--O 1.205 -1.254 0 CA-C-O 120.947 0.403 . . . . 0.73 110.964 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.5 mm? -77.67 -30.24 51.91 Favored 'General case' 0 C--N 1.312 -1.031 0 O-C-N 122.083 -0.385 . . . . 1.26 110.686 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.12 -5.17 56.8 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.415 -0.811 . . . . 2.24 109.403 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 30' ' ' PHE . 81.1 mt -92.26 97.99 11.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 115.452 -0.794 . . . . 1.73 109.366 -177.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -59.08 151.95 21.26 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 115.198 -0.91 . . . . 3.1 111.736 -177.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.607 ' HA ' HG12 ' A' ' 38' ' ' ILE . 84.0 m-85 -63.6 -25.67 68.34 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.264 -0.88 . . . . 0.43 111.701 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.88 -23.23 67.17 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.636 -0.711 . . . . 2.48 111.567 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -83.47 -43.91 15.3 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 109.408 -0.59 . . . . 2.01 109.408 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.607 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -82.6 17.08 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 113.502 0.927 . . . . 0.65 113.502 -175.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.65 22.37 75.2 Favored Glycine 0 C--O 1.242 0.64 0 N-CA-C 114.446 0.538 . . . . 0.55 114.446 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -88.88 143.21 27.04 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.656 0.984 . . . . 1.1 113.656 -176.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -99.56 152.21 20.29 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.538 -1.653 . . . . 1.89 106.538 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.556 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 43.2 m -67.08 -24.37 65.95 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.257 0.551 . . . . 0.88 111.263 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.7 -27.01 65.57 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.822 0.82 . . . . 1.7 109.557 176.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 47' ' ' GLU . . . -81.64 -18.49 44.43 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.125 -0.943 . . . . 0.46 109.964 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.556 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 35.6 mt -74.71 -34.97 62.7 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.809 -0.811 . . . . 0.31 108.809 177.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtp -63.72 -42.17 97.97 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 114.898 -1.046 . . . . 1.7 108.981 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 14.2 tp10 -55.22 -45.04 75.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.823 0.849 . . . . 1.92 109.789 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.6 m -64.29 -58.03 7.7 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.058 -0.974 . . . . 0.43 110.953 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.437 ' HB2' HD21 ' A' ' 74' ' ' LEU . . . -61.81 -34.18 75.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.351 0.5 . . . . 0.29 112.351 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.22 71.6 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 123.107 0.563 . . . . 0.38 112.331 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -73.87 -28.66 61.68 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.028 -0.669 . . . . 2.54 109.712 -178.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.419 HD21 ' CB ' ' A' ' 13' ' ' ALA . 75.2 mt -72.58 -40.56 66.49 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.418 -0.81 . . . . 0.4 109.509 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.5 mt-10 -57.75 -49.04 77.91 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.693 -0.685 . . . . 0.64 109.569 175.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 m -62.76 -43.6 98.38 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.338 -1.301 . . . . 1.33 112.037 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -83.65 -37.83 22.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.713 0.635 . . . . 3.79 112.713 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.406 ' HD1' HG23 ' A' ' 3' ' ' THR . 85.5 m-85 -97.76 -10.51 24.73 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.177 0.806 . . . . 1.17 113.177 -173.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.21 58.54 2.3 Favored Glycine 0 CA--C 1.508 -0.387 0 C-N-CA 121.071 -0.585 . . . . 0.91 113.339 174.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.496 ' HB ' HD21 ' A' ' 82' ' ' LEU . 11.9 p -142.4 169.69 12.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 108.768 -0.826 . . . . 1.17 108.768 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.9 m -128.59 124.37 35.7 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.323 -0.621 . . . . 1.6 109.323 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.466 HD11 HD13 ' A' ' 78' ' ' ILE . 67.0 mt -124.77 111.71 27.39 Favored Pre-proline 0 C--N 1.306 -1.311 0 N-CA-C 109.313 -0.625 . . . . 0.95 109.313 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.582 ' HB2' HG23 ' A' ' 64' ' ' VAL . 54.6 Cg_exo -53.91 145.27 52.17 Favored 'Trans proline' 0 C--O 1.252 1.203 0 C-N-CA 122.761 2.307 . . . . 0.69 112.103 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -57.08 -37.28 71.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.452 1.101 . . . . 2.19 112.426 -175.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -69.81 -31.61 69.6 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 123.285 0.634 . . . . 2.48 111.096 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.582 HG23 ' HB2' ' A' ' 61' ' ' PRO . 58.8 t -71.12 -58.87 4.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 N-CA-C 109.031 -0.729 . . . . 0.56 109.031 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.94 70.45 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.001 -1.0 . . . . 0.51 111.078 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.51 31.44 5.48 Favored Glycine 0 N--CA 1.433 -1.521 0 C-N-CA 120.636 -0.792 . . . . 0.97 113.205 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -140.33 12.34 2.37 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 117.69 0.745 . . . . 3.52 110.598 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.5 HG21 HD23 ' A' ' 74' ' ' LEU . 19.0 m -94.97 105.59 17.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 O-C-N 121.346 -0.847 . . . . 0.5 111.103 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.49 -43.66 93.45 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.693 0.627 . . . . 1.88 112.693 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.1 p -107.19 143.74 27.75 Favored Pre-proline 0 C--N 1.306 -1.325 0 C-N-CA 120.708 -0.397 . . . . 0.43 110.23 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 54.3 Cg_exo -57.86 -26.87 76.14 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.476 2.784 . . . . 0.34 112.182 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.501 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 45.1 ttm180 -61.23 -36.7 80.66 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.817 -0.629 . . . . 2.05 110.644 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 14.1 mm-40 -65.27 -37.42 87.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.53 -0.305 . . . . 2.23 111.251 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.5 HD23 HG21 ' A' ' 68' ' ' VAL . 2.2 tm? -73.61 -40.89 63.49 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 108.194 -1.039 . . . . 1.17 108.194 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.56 ' HB2' HD22 ' A' ' 10' ' ' LEU . 58.7 tp -58.23 -55.92 28.78 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.888 0.875 . . . . 0.6 109.881 176.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.01 -34.35 77.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.659 -1.155 . . . . 0.89 111.201 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 73' ' ' GLU . 2.4 tt -55.11 -53.31 57.55 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.575 -1.268 . . . . 1.06 107.575 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.532 HG21 ' HG ' ' A' ' 5' ' ' LEU . 45.7 mm -58.29 -58.91 4.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.112 -0.949 . . . . 0.62 109.614 178.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.546 HD22 ' HB2' ' A' ' 4' ' ' LEU . 9.8 m120 -51.87 -54.99 22.81 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.082 0.864 . . . . 1.45 111.462 -176.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.34 -46.73 92.13 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.707 -0.679 . . . . 0.48 113.439 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.29 94.55 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 117.029 0.414 . . . . 0.56 111.039 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.496 HD21 ' HB ' ' A' ' 58' ' ' VAL . 95.8 mt -70.4 -41.95 72.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.629 -0.714 . . . . 0.72 111.696 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.653 0 CA-C-O 120.575 0.226 . . . . 0.93 111.375 179.652 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 CA--C 1.518 -0.251 0 N-CA-C 109.999 -0.371 . . . . 5.31 109.999 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.42 82.02 0.9 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 120.747 0.308 . . . . 1.46 110.949 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.691 HG23 ' HD1' ' A' ' 56' ' ' TYR . 9.2 t -78.85 106.81 11.12 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.687 -1.227 . . . . 1.7 107.687 175.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.592 HD22 ' HA ' ' A' ' 79' ' ' ASN . 78.8 mt -91.16 127.75 36.71 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.734 -0.604 . . . . 1.02 111.021 -174.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.493 HD22 HG21 ' A' ' 78' ' ' ILE . 2.2 pt? -68.97 141.64 54.88 Favored 'General case' 0 C--O 1.251 1.148 0 N-CA-C 108.448 -0.945 . . . . 1.37 108.448 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.1 p -96.82 -170.48 2.06 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 116.066 -0.515 . . . . 0.88 110.978 -176.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.2 m -57.65 -53.92 52.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.856 -0.794 . . . . 0.7 108.856 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.76 -41.52 74.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.957 -1.02 . . . . 2.29 112.627 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -64.57 -47.87 77.11 Favored 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 123.573 0.546 . . . . 1.83 110.368 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.628 HD22 ' HB2' ' A' ' 75' ' ' LEU . 41.4 tp -61.89 -45.0 95.64 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.234 -0.654 . . . . 0.75 109.234 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.681 ' HG3' ' HB2' ' A' ' 26' ' ' LEU . 26.5 ttp85 -52.37 -59.93 3.83 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.752 0.821 . . . . 2.88 111.392 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -60.27 -43.05 96.52 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.98 -0.555 . . . . 3.46 112.0 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.85 86.96 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.182 -0.463 . . . . 0.63 110.935 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 26' ' ' LEU . 37.5 tp -67.66 -30.82 70.46 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.473 -0.33 . . . . 0.62 111.757 -176.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t -72.78 -37.64 55.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.084 -0.71 . . . . 0.74 109.084 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.53 -35.66 76.53 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.295 -0.866 . . . . 2.04 111.463 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' HH12 ' A' ' 51' ' ' ARG . 2.7 p -79.68 -3.41 47.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.23 0.826 . . . . 1.3 113.23 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.56 -11.59 55.75 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.006 -0.739 . . . . 1.93 109.006 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.63 -103.43 2.04 Favored Glycine 0 N--CA 1.417 -2.591 0 N-CA-C 109.688 -1.365 . . . . 2.29 109.688 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -80.79 154.32 27.25 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.783 -0.451 . . . . 5.38 109.783 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -78.17 83.38 4.44 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 121.626 0.727 . . . . 6.11 109.543 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.82 -56.84 5.02 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 107.803 -1.184 . . . . 5.17 107.803 173.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.37 58.98 0.52 Allowed Glycine 0 N--CA 1.419 -2.443 0 CA-C-N 115.093 -0.958 . . . . 3.06 112.161 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.584 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 25.2 m -72.76 106.14 4.61 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 104.42 -2.437 . . . . 2.78 104.42 170.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -59.44 110.25 1.06 Allowed 'General case' 0 CA--C 1.507 -0.709 0 CA-C-O 122.704 1.24 . . . . 2.9 112.405 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.681 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 44.8 mt -124.78 49.76 1.81 Allowed 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 113.679 -1.601 . . . . 1.38 107.667 -177.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.0 m -116.31 155.87 27.65 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.953 -0.567 . . . . 1.8 110.025 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 -126.14 7.38 Favored Glycine 0 N--CA 1.433 -1.538 0 N-CA-C 109.816 -1.314 . . . . 1.82 109.816 -178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -114.33 85.66 2.27 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.101 -1.074 . . . . 2.57 108.101 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -99.94 10.23 41.63 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 114.962 -1.017 . . . . 0.73 109.506 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.9 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 2.8 mm? -72.96 -11.86 60.73 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.462 -0.79 . . . . 1.26 112.161 -173.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -94.47 0.4 55.33 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 120.908 0.385 . . . . 2.24 110.575 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -78.73 169.96 17.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.864 -1.162 . . . . 1.73 107.864 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HD2' ' OD2' ' A' ' 69' ' ' ASP . 31.7 mtm180 -124.88 147.6 48.72 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.082 -1.047 . . . . 3.1 111.335 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.49 ' HA ' HG12 ' A' ' 38' ' ' ILE . 44.2 m-85 -65.58 -35.95 82.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.937 -0.574 . . . . 0.43 111.273 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.7 -36.76 84.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.963 0.887 . . . . 2.48 109.088 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.62 -37.44 65.39 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.151 -0.931 . . . . 2.01 110.56 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.49 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.1 pt -88.18 14.51 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 111.879 0.326 . . . . 0.65 111.879 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.88 44.15 96.52 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 116.011 -0.54 . . . . 0.55 114.32 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.442 ' OH ' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -103.77 136.94 42.52 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.527 0.679 . . . . 1.1 111.345 179.139 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.76 ' HA ' H302 ' A' ' 87' ' ' PNS . 12.6 m-20 -82.52 146.54 29.17 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 114.812 -1.085 . . . . 1.89 108.234 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 64.4 m -67.86 -28.53 67.62 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.278 0.561 . . . . 0.88 110.428 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.0 mt -60.88 -38.55 86.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.367 -0.833 . . . . 1.7 108.784 172.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.18 -28.65 62.33 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.011 -0.995 . . . . 0.46 110.329 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.473 HD13 HG23 ' A' ' 68' ' ' VAL . 74.9 mt -70.0 -40.07 75.51 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.318 -0.623 . . . . 0.31 109.318 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 84.2 mtp -61.63 -43.4 98.93 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.421 -0.809 . . . . 1.7 109.19 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.56 -44.08 97.69 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.716 -0.674 . . . . 1.92 110.503 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.436 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 94.6 m -58.06 -52.34 65.93 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 115.537 -0.756 . . . . 0.43 109.505 175.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.43 -43.74 96.47 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.84 -0.618 . . . . 0.29 111.394 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.62 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -53.83 -37.78 63.95 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.756 0.822 . . . . 0.38 112.179 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.53 HH12 ' HB3' ' A' ' 17' ' ' SER . 29.7 ttp180 -68.06 -40.35 82.8 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.763 0.792 . . . . 2.54 110.523 178.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.2 mt -77.14 -28.6 54.3 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.385 -0.825 . . . . 0.4 110.915 -176.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.62 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 52.7 mt-10 -56.13 -59.21 5.25 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 123.51 0.506 . . . . 0.64 110.693 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.1 t -66.62 -34.57 78.18 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.038 -0.983 . . . . 1.33 110.534 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -70.78 -45.52 64.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.57 0.581 . . . . 3.79 112.57 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.691 ' HD1' HG23 ' A' ' 3' ' ' THR . 92.8 m-85 -104.28 -13.86 16.01 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 114.743 1.386 . . . . 1.17 114.743 -173.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.47 49.15 2.84 Favored Glycine 0 C--N 1.302 -1.326 0 C-N-CA 119.667 -1.254 . . . . 0.91 112.721 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 31.1 m -131.74 170.99 18.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 N-CA-C 108.957 -0.757 . . . . 1.17 108.957 177.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.2 p -143.11 119.86 11.18 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 108.654 -0.869 . . . . 1.6 108.654 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.53 HD11 HD13 ' A' ' 78' ' ' ILE . 71.8 mt -112.07 114.34 51.34 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.676 -0.49 . . . . 0.95 109.676 -176.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.536 ' HB2' HG23 ' A' ' 64' ' ' VAL . 52.3 Cg_exo -53.64 144.72 51.74 Favored 'Trans proline' 0 C--O 1.246 0.92 0 C-N-CA 122.598 2.199 . . . . 0.69 111.739 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -43.54 -53.68 5.41 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.936 1.294 . . . . 2.19 113.274 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.94 -28.04 66.28 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 113.286 0.847 . . . . 2.48 113.286 -174.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.536 HG23 ' HB2' ' A' ' 61' ' ' PRO . 61.9 t -63.13 -47.92 90.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 120.978 0.418 . . . . 0.56 110.66 -177.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 -16.03 63.99 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.933 -0.576 . . . . 0.51 111.933 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.16 -7.73 76.48 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.52 -0.848 . . . . 0.97 111.063 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -102.32 11.85 37.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.891 0.7 . . . . 3.52 112.891 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.678 HG21 HD23 ' A' ' 74' ' ' LEU . 29.9 m -101.45 112.36 34.21 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.539 0.685 . . . . 0.5 110.773 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.435 ' OD2' ' HD2' ' A' ' 34' ' ' ARG . 20.8 t70 -88.63 -39.28 14.18 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.71 -0.677 . . . . 1.88 110.862 -176.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.8 p -111.59 152.9 44.35 Favored Pre-proline 0 C--N 1.303 -1.441 0 CA-C-N 116.002 -0.544 . . . . 0.43 110.356 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 32.2 Cg_exo -60.28 -26.06 81.69 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 123.164 2.576 . . . . 0.34 112.471 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.9 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 7.8 ptp180 -62.03 -37.51 85.18 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.448 -0.342 . . . . 2.05 110.568 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 44.2 mt-10 -69.87 -43.61 71.5 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 123.293 0.371 . . . . 2.23 110.399 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.678 HD23 HG21 ' A' ' 68' ' ' VAL . 2.9 tm? -64.12 -39.69 94.57 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.38 -0.6 . . . . 1.17 109.38 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.628 ' HB2' HD22 ' A' ' 10' ' ' LEU . 46.1 tp -66.16 -43.85 85.76 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-O 121.44 0.638 . . . . 0.6 109.369 177.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.84 -27.1 67.99 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 114.783 -1.099 . . . . 0.89 110.952 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 78.7 mt -61.71 -51.12 69.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.15 -0.315 . . . . 1.06 110.15 176.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.53 HD13 HD11 ' A' ' 60' ' ' ILE . 32.7 mm -67.43 -58.08 7.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.202 -0.666 . . . . 0.62 109.202 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.592 ' HA ' HD22 ' A' ' 4' ' ' LEU . 16.3 m120 -53.2 -49.37 66.88 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.205 -0.907 . . . . 1.45 110.878 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.28 -44.62 95.26 Favored Glycine 0 N--CA 1.434 -1.478 0 CA-C-N 115.22 -0.9 . . . . 0.48 113.013 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.35 98.47 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.943 0.372 . . . . 0.56 111.159 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 56' ' ' TYR . 83.6 mt -64.76 -39.31 93.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.72 111.79 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.29 -32.6 66.74 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.174 0.512 . . . . 0.93 110.705 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.6 -59.02 2.93 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.454 -0.794 . . . . 2.7 110.839 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -149.68 103.93 3.29 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-O 121.445 0.64 . . . . 2.73 110.886 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.283 -2.321 0 N-CA-C 107.428 -1.323 . . . . 5.02 107.428 176.381 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . 0.76 H302 ' HA ' ' A' ' 41' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtm . . . . . 0 CA--C 1.508 -0.639 0 N-CA-C 109.572 -0.529 . . . . 5.31 109.572 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.56 153.16 21.62 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 107.771 -1.196 . . . . 1.46 107.771 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.0 p -71.94 106.82 4.39 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 123.163 0.29 . . . . 1.7 110.406 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.702 HD22 ' HA ' ' A' ' 79' ' ' ASN . 84.2 mt -98.75 168.05 10.39 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.363 -0.606 . . . . 1.02 109.363 178.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.606 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? -129.03 154.13 46.93 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.84 -0.344 . . . . 1.37 110.277 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -101.05 -170.46 1.84 Allowed 'General case' 0 C--N 1.3 -1.571 0 O-C-N 123.596 0.56 . . . . 0.88 109.967 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 54.9 m -67.34 -38.75 85.37 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 122.682 0.393 . . . . 0.7 110.6 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.559 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 25.8 t70 -67.88 -30.33 69.66 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.084 0.469 . . . . 2.29 110.722 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.606 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 14.3 m-20 -68.69 -48.69 63.26 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.041 -0.726 . . . . 1.83 109.041 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.74 HD22 ' HB2' ' A' ' 75' ' ' LEU . 54.8 tp -60.01 -38.7 83.43 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.722 -0.672 . . . . 0.75 109.606 177.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.583 ' HG3' ' HB3' ' A' ' 26' ' ' LEU . 63.8 ttt180 -51.47 -60.36 3.23 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.428 1.091 . . . . 2.88 110.377 176.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 41.0 mtt180 -64.92 -33.62 76.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.02 0.438 . . . . 3.46 110.679 -176.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -67.71 -37.04 81.72 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.793 -0.639 . . . . 0.63 111.503 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.646 HD23 HD21 ' A' ' 26' ' ' LEU . 30.9 tp -80.78 -33.55 34.84 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.029 0.443 . . . . 0.62 110.04 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 t -53.93 -41.4 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.996 0.918 . . . . 0.74 110.894 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -56.74 -27.66 59.7 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 113.747 1.018 . . . . 2.04 113.747 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.468 ' HB3' HH12 ' A' ' 51' ' ' ARG . 6.3 p -91.04 -2.89 57.59 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.655 -0.653 . . . . 1.3 112.669 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -102.03 -47.53 4.53 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.119 -1.067 . . . . 1.93 108.119 175.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.63 159.28 10.57 Favored Glycine 0 N--CA 1.425 -2.04 0 N-CA-C 109.872 -1.291 . . . . 2.29 109.872 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.61 119.25 10.78 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 117.439 0.619 . . . . 5.38 109.432 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 m 71.84 20.54 4.49 Favored 'General case' 0 CA--C 1.563 1.458 0 C-N-CA 124.395 1.078 . . . . 6.11 110.687 -176.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -127.11 133.9 50.32 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 121.382 -0.824 . . . . 5.17 111.219 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.69 140.35 7.36 Favored Glycine 0 N--CA 1.4 -3.719 0 N-CA-C 108.318 -1.913 . . . . 3.06 108.318 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 m -78.09 71.14 4.55 Favored 'General case' 0 C--N 1.272 -2.77 0 CA-C-O 121.621 0.724 . . . . 2.78 110.847 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 t70 67.28 67.01 0.4 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.945 2.098 . . . . 2.9 111.789 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.646 HD21 HD23 ' A' ' 14' ' ' LEU . 9.2 mp -115.62 80.21 1.41 Allowed 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.163 -1.381 . . . . 1.38 107.3 176.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.6 m -136.29 112.07 9.47 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 115.448 -0.796 . . . . 1.8 109.435 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.88 -82.28 1.67 Allowed Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.383 -0.687 . . . . 1.82 111.383 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -144.34 146.76 32.75 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.732 -1.21 . . . . 2.57 107.732 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 30.4 p90 -145.8 14.59 1.37 Allowed 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.023 0.439 . . . . 0.73 110.147 -178.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.541 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 8.4 mp -70.38 -21.39 62.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.091 0.556 . . . . 1.26 112.406 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.48 -2.13 57.32 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.802 0.689 . . . . 2.24 110.979 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.0 mt -91.1 175.19 7.04 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.416 -0.957 . . . . 1.73 108.416 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -116.99 144.31 44.73 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 109.235 -0.654 . . . . 3.1 109.235 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 71' ' ' PRO . 54.6 m-85 -65.32 -33.36 75.79 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.315 -0.402 . . . . 0.43 110.667 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.97 -39.24 81.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.982 0.801 . . . . 2.48 110.883 -179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -73.65 -38.73 64.89 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 116.462 -0.335 . . . . 2.01 110.971 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.9 pt -85.07 20.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 113.347 0.869 . . . . 0.65 113.347 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.36 7.81 87.75 Favored Glycine 0 C--N 1.316 -0.58 0 N-CA-C 114.413 0.525 . . . . 0.55 114.413 174.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -96.09 156.46 16.33 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-N 117.316 0.558 . . . . 1.1 110.662 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.573 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -141.42 171.92 13.4 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.25 -0.648 . . . . 1.89 109.25 177.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -42.29 -48.36 4.98 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 127.136 2.174 . . . . 0.88 113.299 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.15 -35.7 74.22 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.291 0.567 . . . . 1.7 111.661 -175.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.12 -28.39 65.34 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.796 0.808 . . . . 0.46 109.566 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 82.0 mt -78.3 -38.31 42.72 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.343 -0.844 . . . . 0.31 110.702 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.428 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 74.5 mtp -58.21 -43.61 87.74 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 123.624 0.578 . . . . 1.7 109.566 175.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -57.77 -51.59 68.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.19 -0.914 . . . . 1.92 109.872 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.9 m -55.92 -50.36 70.91 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.839 -1.073 . . . . 0.43 110.507 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.64 -43.19 99.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.533 -0.303 . . . . 0.29 111.189 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -59.17 -43.11 92.12 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.452 0.538 . . . . 0.38 112.452 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.468 HH12 ' HB3' ' A' ' 17' ' ' SER . 17.2 ptt-85 -69.53 -24.66 63.76 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.863 -0.735 . . . . 2.54 111.053 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' A' ' 13' ' ' ALA . 90.4 mt -77.86 -34.77 51.55 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.069 -0.514 . . . . 0.4 109.744 176.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.609 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.7 mt-10 -57.78 -49.71 75.7 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.084 -0.71 . . . . 0.64 109.084 174.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -64.25 -27.51 69.1 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.251 -0.886 . . . . 1.33 112.195 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -89.72 -43.98 10.32 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.206 -0.598 . . . . 3.79 111.943 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -94.24 -21.17 19.21 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 113.553 0.946 . . . . 1.17 113.553 -174.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.98 65.6 1.59 Allowed Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.038 -1.077 . . . . 0.91 110.492 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 53' ' ' GLU . 14.8 p -139.64 168.7 17.75 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 107.84 -1.17 . . . . 1.17 107.84 -177.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -133.26 119.89 20.38 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 118.471 0.578 . . . . 1.6 109.722 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.543 HD11 HD13 ' A' ' 78' ' ' ILE . 66.7 mt -128.0 115.91 20.47 Favored Pre-proline 0 C--N 1.31 -1.121 0 N-CA-C 109.575 -0.528 . . . . 0.95 109.575 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.488 ' HB2' HG23 ' A' ' 64' ' ' VAL . 31.9 Cg_exo -59.42 153.6 53.1 Favored 'Trans proline' 0 C--O 1.253 1.242 0 C-N-CA 122.795 2.33 . . . . 0.69 112.335 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -59.0 -47.89 83.56 Favored 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 124.009 0.923 . . . . 2.19 110.518 -176.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.29 -21.51 64.01 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 114.762 -1.108 . . . . 2.48 111.912 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.488 HG23 ' HB2' ' A' ' 61' ' ' PRO . 57.7 t -85.72 -57.87 3.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 109.486 -0.561 . . . . 0.56 109.486 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 46' ' ' MET . . . -57.71 -36.11 71.55 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.662 -0.699 . . . . 0.51 111.294 -178.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.97 39.71 2.83 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 120.836 -0.697 . . . . 0.97 111.951 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -143.22 2.55 1.3 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.872 0.844 . . . . 3.52 109.776 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.433 HG23 HD13 ' A' ' 45' ' ' LEU . 27.3 m -91.93 121.07 42.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.75 -0.594 . . . . 0.5 109.908 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -95.76 -29.79 14.06 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.531 0.682 . . . . 1.88 110.211 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 56.3 p -111.09 141.12 23.61 Favored Pre-proline 0 N--CA 1.432 -1.335 0 CA-C-N 115.726 -0.67 . . . . 0.43 110.157 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.541 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -58.86 -24.17 70.96 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.476 2.784 . . . . 0.34 112.611 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HA ' ' HG ' ' A' ' 31' ' ' LEU . 44.2 ttm180 -57.71 -44.35 85.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.718 -0.673 . . . . 2.05 109.559 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 39.0 mt-10 -64.48 -46.76 81.63 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.459 -0.791 . . . . 2.23 110.734 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.34 -44.25 95.71 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.202 -0.666 . . . . 1.17 109.202 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.74 ' HB2' HD22 ' A' ' 10' ' ' LEU . 55.9 tp -63.58 -46.42 85.95 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.605 -0.725 . . . . 0.6 109.85 178.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.55 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.768 -1.106 . . . . 0.89 111.926 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 84.7 mt -58.3 -51.94 67.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.664 0.268 . . . . 1.06 110.367 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.543 HD13 HD11 ' A' ' 60' ' ' ILE . 31.3 mm -63.61 -56.67 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 108.808 -0.812 . . . . 0.62 108.808 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.702 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.6 m120 -51.16 -54.39 25.8 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.244 -0.889 . . . . 1.45 111.693 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.08 -53.79 42.04 Favored Glycine 0 N--CA 1.436 -1.352 0 CA-C-N 115.711 -0.677 . . . . 0.48 113.121 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.87 81.3 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 112.061 0.393 . . . . 0.56 112.061 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.3 mt -76.05 -33.06 59.59 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 112.088 0.403 . . . . 0.72 112.088 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.75 -23.3 45.46 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.599 0.238 . . . . 0.93 111.639 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -90.78 -19.53 23.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.857 0.36 . . . . 2.7 110.258 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.37 77.54 7.13 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.381 0.61 . . . . 2.73 110.441 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.843 0 N-CA-C 107.559 -1.274 . . . . 5.02 107.559 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 CA--C 1.51 -0.573 0 N-CA-C 108.831 -0.803 . . . . 5.31 108.831 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.58 145.67 36.0 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.958 -0.565 . . . . 1.46 109.829 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -79.27 107.89 12.37 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.681 0.753 . . . . 1.7 109.168 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' A' ' 79' ' ' ASN . 83.8 mt -78.36 167.5 21.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.375 0.607 . . . . 1.02 112.158 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 9' ' ' ASP . 76.1 mt -84.8 141.29 30.6 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-N 115.518 -0.764 . . . . 1.37 109.969 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.7 p -94.2 -170.47 2.3 Favored 'General case' 0 N--CA 1.415 -2.187 0 N-CA-C 107.056 -1.461 . . . . 0.88 107.056 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.5 HG23 HD21 ' A' ' 31' ' ' LEU . 43.3 m -68.76 -45.55 71.11 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 118.058 0.39 . . . . 0.7 110.226 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.552 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 34.8 t70 -68.66 -23.92 64.47 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 111.888 0.329 . . . . 2.29 111.888 -178.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.467 ' HB3' HD22 ' A' ' 5' ' ' LEU . 3.0 m-20 -59.52 -51.69 68.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.288 0.566 . . . . 1.83 110.358 175.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.462 HD22 ' HE1' ' A' ' 30' ' ' PHE . 4.4 tt -65.44 -41.36 93.55 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 107.612 -1.255 . . . . 0.75 107.612 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HD3' ' OD1' ' A' ' 8' ' ' ASP . 54.5 ttt180 -53.55 -53.81 46.26 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.607 -0.724 . . . . 2.88 111.587 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 91.9 mtt180 -58.84 -44.36 90.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.924 0.392 . . . . 3.46 110.902 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.26 62.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.014 -0.539 . . . . 0.63 111.978 -176.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.437 HD23 HD21 ' A' ' 26' ' ' LEU . 25.6 tp -83.02 -24.88 32.65 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.04 0.448 . . . . 0.62 110.276 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 11' ' ' ARG . 98.7 t -72.77 -17.7 18.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 121.712 0.767 . . . . 0.74 110.336 176.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 14.1 mm-40 -71.77 -28.86 63.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.618 -0.719 . . . . 2.04 111.947 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 p -88.05 -8.99 54.73 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.255 0.55 . . . . 1.3 111.612 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.29 -42.98 7.53 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.405 0.622 . . . . 1.93 109.323 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.83 -110.46 3.81 Favored Glycine 0 N--CA 1.427 -1.921 0 CA-C-N 115.585 -0.734 . . . . 2.29 112.865 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -103.03 -175.79 2.9 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 112.014 0.376 . . . . 5.38 112.014 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m 63.33 61.09 1.08 Allowed 'General case' 0 C--O 1.248 0.985 0 C-N-CA 124.948 1.299 . . . . 6.11 108.963 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.2 t70 72.58 -36.4 0.36 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 126.643 1.977 . . . . 5.17 111.802 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.453 ' HA3' HG13 ' A' ' 15' ' ' VAL . . . 107.73 -83.8 0.35 Allowed Glycine 0 N--CA 1.406 -3.327 0 N-CA-C 109.412 -1.475 . . . . 3.06 109.412 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.3 m -157.88 136.26 11.07 Favored 'General case' 0 C--N 1.284 -2.256 0 N-CA-C 106.269 -1.752 . . . . 2.78 106.269 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.7 103.18 0.66 Allowed 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 106.684 -1.598 . . . . 2.9 106.684 172.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.437 HD21 HD23 ' A' ' 14' ' ' LEU . 7.6 tp -140.93 39.35 1.8 Allowed 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.614 -0.721 . . . . 1.38 109.247 -167.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.5 m -101.29 149.37 24.09 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.482 -0.781 . . . . 1.8 110.651 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.04 -140.25 21.31 Favored Glycine 0 C--O 1.239 0.442 0 N-CA-C 110.949 -0.86 . . . . 1.82 110.949 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -98.91 105.43 17.57 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 107.487 -1.301 . . . . 2.57 107.487 176.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.462 ' HE1' HD22 ' A' ' 10' ' ' LEU . 52.7 p90 -106.94 12.05 29.2 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 116.265 -0.425 . . . . 0.73 110.071 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.633 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 2.5 mm? -75.63 -27.69 58.51 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.657 -0.417 . . . . 1.26 111.849 -172.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -100.03 3.41 44.13 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 120.021 -0.672 . . . . 2.24 109.984 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -85.59 114.62 22.74 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 107.331 -1.359 . . . . 1.73 107.331 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -65.57 149.29 50.31 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.263 -0.426 . . . . 3.1 111.607 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 69.2 m-85 -67.04 -28.0 67.86 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.221 -0.445 . . . . 0.43 110.897 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.25 -37.64 64.88 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 124.422 1.089 . . . . 2.48 110.163 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.24 -39.49 68.43 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.817 -0.629 . . . . 2.01 110.081 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.414 HD11 ' HD1' ' A' ' 35' ' ' PHE . 29.2 pt -93.46 18.44 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.637 0.606 . . . . 0.65 112.637 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.6 40.17 96.03 Favored Glycine 0 C--O 1.225 -0.432 0 CA-C-N 115.42 -0.809 . . . . 0.55 113.909 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -101.93 169.45 8.76 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-N 117.192 0.496 . . . . 1.1 112.312 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.624 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.8 p-10 -139.77 171.99 13.43 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.645 -0.707 . . . . 1.89 109.578 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -65.51 -40.65 93.26 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 124.083 0.953 . . . . 0.88 111.771 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.01 -33.7 72.36 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 120.955 0.407 . . . . 1.7 110.639 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.79 -31.9 72.1 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.451 0.643 . . . . 0.46 110.18 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 69.3 mt -74.02 -42.53 60.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.75 -0.659 . . . . 0.31 109.639 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 73.4 mtp -58.17 -45.73 86.95 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.16 -0.927 . . . . 1.7 109.966 177.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -57.1 -50.07 73.94 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.83 -0.623 . . . . 1.92 109.619 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.5 m -56.34 -52.32 64.99 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 123.924 0.89 . . . . 0.43 111.35 178.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.457 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -59.36 -45.58 91.01 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.037 0.21 . . . . 0.29 111.113 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.568 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -62.17 -32.78 73.44 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.345 0.593 . . . . 0.38 111.656 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -70.09 -34.54 73.28 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 124.346 1.058 . . . . 2.54 110.694 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.51 -36.41 63.21 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.002 -0.545 . . . . 0.4 110.701 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.568 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 45.4 mt-10 -51.13 -56.78 10.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.466 0.706 . . . . 0.64 112.003 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -58.18 -29.11 65.38 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.19 0.811 . . . . 1.33 113.19 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -87.98 -35.9 17.36 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 120.462 -0.495 . . . . 3.79 111.91 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -102.82 -18.13 15.25 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 115.71 1.745 . . . . 1.17 115.71 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.99 60.91 1.98 Allowed Glycine 0 C--N 1.309 -0.968 0 C-N-CA 119.768 -1.206 . . . . 0.91 111.03 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.456 ' HB ' HD21 ' A' ' 82' ' ' LEU . 7.1 p -143.18 150.09 17.94 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.892 0 N-CA-C 106.792 -1.558 . . . . 1.17 106.792 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.559 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 50.3 m -129.98 115.55 17.31 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 118.131 0.423 . . . . 1.6 110.154 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 70.8 mt -120.6 127.54 26.23 Favored Pre-proline 0 C--N 1.306 -1.316 0 CA-C-N 116.165 -0.471 . . . . 0.95 109.914 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HB2' HG23 ' A' ' 64' ' ' VAL . 34.3 Cg_exo -59.6 140.95 96.23 Favored 'Trans proline' 0 C--O 1.245 0.861 0 C-N-CA 122.525 2.15 . . . . 0.69 111.322 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.3 -41.51 72.44 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.483 1.113 . . . . 2.19 111.857 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.5 -34.91 69.56 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.729 -0.669 . . . . 2.48 111.674 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 61' ' ' PRO . 49.1 t -67.23 -52.34 43.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 123.321 0.648 . . . . 0.56 110.281 -177.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.15 69.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.626 -0.715 . . . . 0.51 111.246 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.33 3.7 83.84 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.791 -0.719 . . . . 0.97 113.268 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -109.02 -3.41 17.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.81 0.671 . . . . 3.52 112.81 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.505 HG23 HD13 ' A' ' 45' ' ' LEU . 27.2 m -85.43 125.52 40.46 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 C-N-CA 119.769 -0.772 . . . . 0.5 111.752 -177.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -93.54 -27.54 16.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.58 0.705 . . . . 1.88 110.018 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.2 p -127.72 147.08 61.22 Favored Pre-proline 0 C--N 1.31 -1.142 0 CA-C-N 115.582 -0.736 . . . . 0.43 110.915 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.633 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 46.0 Cg_exo -59.39 -21.25 60.18 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 123.475 2.783 . . . . 0.34 112.479 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 31' ' ' LEU . 23.2 tpp180 -55.11 -43.05 73.72 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 123.938 0.895 . . . . 2.05 108.669 175.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 29.5 mt-10 -73.38 -45.08 56.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.879 -1.055 . . . . 2.23 109.921 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.06 -45.99 86.14 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.484 0.714 . . . . 1.17 109.4 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.37 -46.11 90.14 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 115.504 -0.771 . . . . 0.6 110.061 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.52 -38.03 88.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.145 -0.934 . . . . 0.89 111.891 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 91.0 mt -53.61 -47.64 70.04 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.173 0.511 . . . . 1.06 110.33 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.409 HG21 ' HG ' ' A' ' 5' ' ' LEU . 43.9 mm -67.48 -55.49 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.934 -1.03 . . . . 0.62 109.224 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.718 ' HA ' HD22 ' A' ' 4' ' ' LEU . 15.1 m120 -49.67 -55.32 14.18 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.678 0.791 . . . . 1.45 111.508 -178.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.91 -48.95 83.56 Favored Glycine 0 N--CA 1.437 -1.27 0 O-C-N 124.062 0.851 . . . . 0.48 112.741 -177.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.02 81.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.704 0.252 . . . . 0.56 111.658 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD21 ' HB ' ' A' ' 58' ' ' VAL . 70.8 mt -64.96 -45.92 83.69 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 112.196 0.443 . . . . 0.72 112.196 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.59 -18.36 63.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.785 0.326 . . . . 0.93 111.582 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -91.05 -58.44 2.47 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.225 0.536 . . . . 2.7 109.995 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.25 -33.45 37.92 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 113.407 0.892 . . . . 2.73 113.407 -172.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.382 0 C-N-CA 120.065 -0.654 . . . . 5.02 110.338 -176.133 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 120.624 0.249 . . . . 5.31 110.561 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 82' ' ' LEU . . . -139.03 102.86 4.64 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-O 121.153 0.501 . . . . 1.46 111.567 -175.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p -108.55 106.6 16.75 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.59 -1.263 . . . . 1.7 107.59 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' HA ' ' CD1' ' A' ' 82' ' ' LEU 0.293 2.4 pp -64.8 137.57 57.86 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 114.519 1.303 . . . . 1.02 114.519 -177.456 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.408 HD11 ' HB ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -69.57 153.36 43.59 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.438 -1.256 . . . . 1.37 112.092 -175.084 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.1 p -91.11 -177.88 5.02 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 116.454 -0.339 . . . . 0.88 111.303 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 m -67.27 -38.67 85.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.819 -1.178 . . . . 0.7 107.819 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 35.9 t70 -66.21 -40.9 90.68 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.851 -1.068 . . . . 2.29 110.928 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -61.84 -40.79 96.54 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.753 0.311 . . . . 1.83 110.183 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.622 HD22 ' HB2' ' A' ' 75' ' ' LEU . 59.1 tp -59.02 -46.11 89.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.124 -0.943 . . . . 0.75 109.135 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.623 ' HG3' ' HB3' ' A' ' 26' ' ' LEU . 18.7 ttp180 -55.9 -51.85 66.17 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 123.806 0.691 . . . . 2.88 110.45 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 49.6 mtt180 -57.56 -52.27 66.1 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.001 0.429 . . . . 3.46 111.379 -177.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -28.23 69.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.767 -0.651 . . . . 0.63 112.048 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD23 HD21 ' A' ' 26' ' ' LEU . 18.4 tp -82.97 -40.28 20.25 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.967 -0.56 . . . . 0.62 109.892 -178.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 11' ' ' ARG . 93.1 t -65.02 -35.62 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.486 -0.324 . . . . 0.74 110.365 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 41.6 mm-40 -59.86 -35.82 75.57 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.537 0.208 . . . . 2.04 110.92 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m -70.83 -33.56 70.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.114 -0.493 . . . . 1.3 110.039 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.38 -48.2 70.91 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.826 -0.805 . . . . 1.93 108.826 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.5 24.74 58.25 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.782 -0.645 . . . . 2.29 112.68 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -128.34 146.84 50.65 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.385 -0.969 . . . . 5.38 108.385 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -90.22 80.28 6.27 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-O 122.007 0.908 . . . . 6.11 109.26 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -150.17 153.11 35.74 Favored 'General case' 0 C--N 1.278 -2.538 0 N-CA-C 106.969 -1.493 . . . . 5.17 106.969 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.54 -12.19 58.57 Favored Glycine 0 C--N 1.313 -0.736 0 C-N-CA 120.239 -0.982 . . . . 3.06 112.67 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.431 ' HB ' HD13 ' A' ' 26' ' ' LEU . 1.2 m 54.6 -147.31 0.52 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 108.275 -1.009 . . . . 2.78 108.275 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -100.91 16.47 25.11 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.565 -0.902 . . . . 2.9 108.565 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.738 HD21 HD23 ' A' ' 14' ' ' LEU . 10.0 mp -78.25 -17.89 56.08 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.827 -1.078 . . . . 1.38 111.696 -178.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.2 m -74.47 104.04 5.04 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 109.586 -0.524 . . . . 1.8 109.586 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 120.16 -107.06 1.26 Allowed Glycine 0 N--CA 1.432 -1.59 0 N-CA-C 109.753 -1.339 . . . . 1.82 109.753 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -132.19 134.52 45.46 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 109.348 -0.612 . . . . 2.57 109.348 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.682 ' HA ' HD13 ' A' ' 33' ' ' LEU . 21.7 p90 -147.25 19.45 1.22 Allowed 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 120.96 0.41 . . . . 0.73 110.623 -174.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.685 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 7.1 mp -61.67 -35.59 78.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 115.913 1.82 . . . . 1.26 115.913 -171.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.51 6.42 45.88 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.505 0.928 . . . . 2.24 113.505 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.682 HD13 ' HA ' ' A' ' 30' ' ' PHE . 8.7 mp -78.17 106.28 9.96 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.984 -0.747 . . . . 1.73 108.984 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -56.7 134.6 54.9 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 111.974 0.361 . . . . 3.1 111.974 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.438 ' HA ' HG12 ' A' ' 38' ' ' ILE . 59.1 m-85 -60.78 -31.17 70.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.59 -0.732 . . . . 0.43 110.743 178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.04 -51.72 68.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.454 -0.794 . . . . 2.48 110.046 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.39 -37.13 71.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.438 -0.801 . . . . 2.01 111.783 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.438 HG12 ' HA ' ' A' ' 35' ' ' PHE . 33.0 pt -83.88 16.43 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.846 0.684 . . . . 0.65 112.846 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.87 32.8 85.38 Favored Glycine 0 C--O 1.247 0.924 0 N-CA-C 114.907 0.723 . . . . 0.55 114.907 174.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CZ ' ' HG ' ' A' ' 14' ' ' LEU . 1.4 m-85 -93.36 139.68 30.4 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.376 0.608 . . . . 1.1 111.914 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.637 ' HA ' H312 ' A' ' 87' ' ' PNS . 18.1 m-20 -87.05 145.51 26.45 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 107.256 -1.387 . . . . 1.89 107.256 177.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.522 ' O ' ' HG3' ' A' ' 46' ' ' MET . 48.9 m -70.79 -28.6 64.78 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 120.347 -0.541 . . . . 0.88 110.108 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.27 -24.6 65.8 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.585 -0.446 . . . . 1.7 111.218 173.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.81 -34.79 62.43 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.711 -0.848 . . . . 0.46 108.711 175.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' O ' ' HB ' ' A' ' 48' ' ' THR . 65.9 mt -65.16 -40.94 95.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.71 -0.677 . . . . 0.31 109.266 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.522 ' HG3' ' O ' ' A' ' 42' ' ' SER . 61.8 mtt -59.81 -46.06 90.41 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 114.754 -1.112 . . . . 1.7 110.166 178.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.41 -38.09 88.3 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.05 0.452 . . . . 1.92 109.967 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 91.1 m -58.08 -59.5 5.19 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.297 -0.865 . . . . 0.43 110.053 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.24 83.06 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.391 -0.368 . . . . 0.29 111.168 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.483 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -57.89 -42.79 85.4 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.928 0.491 . . . . 0.38 112.257 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 48' ' ' THR . 5.6 ptp180 -72.71 -25.49 61.25 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.991 -0.684 . . . . 2.54 109.691 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD22 ' HE2' ' A' ' 56' ' ' TYR . 95.5 mt -76.67 -31.28 57.2 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.696 -0.684 . . . . 0.4 110.359 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.483 ' OE2' ' HA ' ' A' ' 50' ' ' ALA . 46.6 mt-10 -55.94 -56.67 17.92 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 123.655 0.597 . . . . 0.64 109.843 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -65.13 -36.05 83.05 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.243 -0.889 . . . . 1.33 111.459 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -71.46 -45.86 61.47 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.363 -0.535 . . . . 3.79 112.137 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.663 ' HB3' HD21 ' A' ' 82' ' ' LEU . 96.9 m-85 -97.13 -20.9 17.66 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 115.044 1.498 . . . . 1.17 115.044 -172.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.14 46.84 2.33 Favored Glycine 0 C--N 1.309 -0.922 0 C-N-CA 119.752 -1.213 . . . . 0.91 112.887 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 23.5 m -128.54 176.2 8.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 O-C-N 122.751 -0.264 . . . . 1.17 111.363 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 p -136.16 111.49 9.12 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 123.906 0.754 . . . . 1.6 109.202 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.615 HD13 ' HG ' ' A' ' 77' ' ' LEU . 69.1 mt -134.83 111.27 11.22 Favored Pre-proline 0 C--N 1.31 -1.139 0 N-CA-C 110.007 -0.368 . . . . 0.95 110.007 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.4 ' HD2' HG21 ' A' ' 64' ' ' VAL . 39.2 Cg_exo -62.62 156.23 53.91 Favored 'Trans proline' 0 C--O 1.25 1.106 0 C-N-CA 123.593 2.862 . . . . 0.69 114.124 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.82 -49.2 68.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.64 1.176 . . . . 2.19 112.16 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.636 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 22.9 t70 -56.06 -43.15 77.65 Favored 'General case' 0 C--O 1.21 -1.007 0 O-C-N 123.464 0.477 . . . . 2.48 111.351 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.4 HG21 ' HD2' ' A' ' 61' ' ' PRO . 44.7 t -61.83 -51.99 66.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 123.526 0.73 . . . . 0.56 110.199 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.28 -21.33 65.13 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.775 -0.648 . . . . 0.51 111.951 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.56 7.57 77.46 Favored Glycine 0 N--CA 1.44 -1.077 0 C-N-CA 120.985 -0.626 . . . . 0.97 112.357 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 17.3 mtm180 -111.04 7.36 21.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 117.221 0.51 . . . . 3.52 111.135 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -87.9 105.12 15.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-O 121.906 0.86 . . . . 0.5 111.098 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -53.5 -50.36 65.56 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 113.933 -1.485 . . . . 1.88 112.362 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 19.9 p -131.83 162.36 56.91 Favored Pre-proline 0 C--N 1.308 -1.22 0 CA-C-N 115.662 -0.699 . . . . 0.43 110.697 -177.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.52 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.4 Cg_exo -56.56 -28.18 73.0 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.456 2.771 . . . . 0.34 113.592 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.685 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 3.7 ptm180 -63.14 -33.55 75.7 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.442 -0.577 . . . . 2.05 109.442 178.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -72.89 -42.96 63.04 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 108.714 -0.847 . . . . 2.23 108.714 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.17 -40.91 97.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.686 -0.857 . . . . 1.17 108.686 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.622 ' HB2' HD22 ' A' ' 10' ' ' LEU . 60.7 tp -60.06 -53.53 56.72 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.64 -0.709 . . . . 0.6 109.767 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.05 -37.02 83.38 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.468 -0.787 . . . . 0.89 111.165 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.615 ' HG ' HD13 ' A' ' 60' ' ' ILE . 56.7 tp -54.63 -49.59 70.15 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.55 0.74 . . . . 1.06 110.54 177.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.583 HD13 HD12 ' A' ' 60' ' ' ILE . 46.7 mm -71.67 -44.82 68.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.8 -0.444 . . . . 0.62 109.8 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.478 HD22 ' HB2' ' A' ' 4' ' ' LEU . 12.5 m120 -52.49 -53.08 50.61 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 116.261 -0.427 . . . . 1.45 111.202 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.86 -39.08 97.02 Favored Glycine 0 N--CA 1.441 -0.976 0 CA-C-N 115.644 -0.707 . . . . 0.48 113.012 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.76 -37.11 85.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.334 0.588 . . . . 0.56 110.188 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 56' ' ' TYR . 76.4 mt -71.27 -46.18 61.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.738 -0.665 . . . . 0.72 110.919 176.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.18 71.38 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.169 0.509 . . . . 0.93 111.135 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -65.49 -44.58 86.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.432 -0.804 . . . . 2.7 109.974 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.73 -50.22 38.51 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.2 -0.454 . . . . 2.73 111.679 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 C-N-CA 124.737 1.215 . . . . 5.02 112.226 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . 0.637 H312 ' HA ' ' A' ' 41' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.579 ' HG2' HG23 ' A' ' 3' ' ' THR . 52.0 ttm . . . . . 0 CA--C 1.513 -0.46 0 N-CA-C 109.783 -0.451 . . . . 5.31 109.783 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.51 84.6 5.97 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 121.072 0.463 . . . . 1.46 111.13 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.579 HG23 ' HG2' ' A' ' 1' ' ' MET . 1.8 p -86.24 106.3 17.23 Favored 'General case' 0 N--CA 1.423 -1.785 0 CA-C-N 115.208 -0.906 . . . . 1.7 108.898 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.867 HD22 ' HA ' ' A' ' 79' ' ' ASN . 65.2 mt -89.87 158.18 17.56 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.931 -0.577 . . . . 1.02 109.935 -174.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' HG ' HG21 ' A' ' 78' ' ' ILE . 96.0 mt -72.61 147.87 45.41 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 116.255 -0.43 . . . . 1.37 110.4 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -87.15 -178.45 6.24 Favored 'General case' 0 N--CA 1.418 -2.034 0 N-CA-C 107.951 -1.129 . . . . 0.88 107.951 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.43 HG22 ' HE1' ' A' ' 30' ' ' PHE . 9.3 m -72.35 -37.57 68.8 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 107.864 -1.161 . . . . 0.7 107.864 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -65.22 -45.68 83.7 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.178 -0.919 . . . . 2.29 112.652 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.21 -32.21 71.32 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.476 -0.89 . . . . 1.83 110.09 -177.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.529 HD22 ' HB2' ' A' ' 75' ' ' LEU . 51.5 tp -69.41 -38.42 77.91 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.007 -0.738 . . . . 0.75 109.007 175.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 15' ' ' VAL . 22.8 ttp85 -57.93 -50.51 73.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.544 -0.753 . . . . 2.88 109.281 175.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -60.14 -45.66 92.28 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.056 -0.52 . . . . 3.46 110.555 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.649 ' HB2' HH21 ' A' ' 51' ' ' ARG . . . -51.58 -50.99 59.08 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 124.203 1.001 . . . . 0.63 111.804 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.2 tp -75.54 -27.25 58.6 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 114.683 -1.144 . . . . 0.62 111.986 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 11' ' ' ARG . 94.5 t -72.78 -45.38 56.81 Favored 'Isoleucine or valine' 0 C--O 1.248 0.997 0 N-CA-C 108.444 -0.946 . . . . 0.74 108.444 173.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -61.43 -23.77 66.07 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.468 -0.787 . . . . 2.04 112.02 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 m -68.35 -46.7 69.42 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 120.673 0.273 . . . . 1.3 110.483 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.71 -50.42 57.58 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.157 -0.474 . . . . 1.93 110.009 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.87 -73.25 2.59 Favored Glycine 0 N--CA 1.442 -0.963 0 CA-C-N 115.728 -0.669 . . . . 2.29 114.193 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -108.79 112.84 25.33 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 113.421 0.897 . . . . 5.38 113.421 -172.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.3 m 73.06 107.59 0.07 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 115.353 1.612 . . . . 6.11 115.353 169.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.569 ' CG ' ' H ' ' A' ' 23' ' ' GLY . 13.1 t70 68.28 -164.38 0.2 Allowed 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 113.687 -1.597 . . . . 5.17 113.274 168.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.569 ' H ' ' CG ' ' A' ' 22' ' ' ASP . . . 136.53 -64.63 0.57 Allowed Glycine 0 N--CA 1.417 -2.57 0 N-CA-C 105.766 -2.934 . . . . 3.06 105.766 -172.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t 162.22 -170.61 0.01 OUTLIER 'General case' 0 C--O 1.245 0.834 0 C-N-CA 127.434 2.294 . . . . 2.78 104.948 174.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -89.02 -27.99 20.48 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 107.166 -1.42 . . . . 2.9 107.166 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 tp 61.53 20.55 11.32 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.613 1.565 . . . . 1.38 112.095 171.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -105.32 -23.36 12.87 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.54 -0.864 . . . . 1.8 113.243 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.66 74.17 1.0 Allowed Glycine 0 C--N 1.278 -2.693 0 CA-C-N 115.726 -0.67 . . . . 1.82 112.057 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.9 t70 49.84 91.05 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.401 1.48 . . . . 2.57 111.335 -176.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.523 ' HA ' HD23 ' A' ' 33' ' ' LEU . 34.1 p90 -96.02 2.95 53.73 Favored 'General case' 0 C--N 1.281 -2.381 0 C-N-CA 119.83 -0.748 . . . . 0.73 112.169 -176.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.825 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 1.8 mm? -78.66 -23.42 45.74 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.379 -0.528 . . . . 1.26 111.215 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -83.91 -26.75 29.11 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 120.869 0.366 . . . . 2.24 111.704 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 30' ' ' PHE . 3.5 mm? -69.74 144.5 52.73 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 109.091 -0.707 . . . . 1.73 109.091 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -90.34 158.06 17.32 Favored 'General case' 0 C--N 1.286 -2.157 0 N-CA-C 108.73 -0.841 . . . . 3.1 108.73 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -66.61 -31.38 72.03 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 120.566 -0.453 . . . . 0.43 110.599 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.91 -30.36 70.93 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.825 -0.625 . . . . 2.48 110.522 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.94 -41.95 77.39 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.187 0.518 . . . . 2.01 109.776 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.2 pt -89.82 18.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 113.18 0.807 . . . . 0.65 113.18 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.47 27.32 73.54 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 116.176 -0.466 . . . . 0.55 113.877 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -101.08 121.63 42.15 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 122.467 -0.431 . . . . 1.1 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -90.05 161.64 15.73 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.922 -0.769 . . . . 1.89 108.922 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.54 ' H ' ' P24' ' A' ' 87' ' ' PNS . 16.9 m -54.19 -34.26 60.11 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 124.974 1.31 . . . . 0.88 113.015 -177.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.19 -32.6 72.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.923 0.392 . . . . 1.7 111.385 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.12 -26.73 61.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.102 0.477 . . . . 0.46 110.32 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.28 -30.4 69.41 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.647 -0.706 . . . . 0.31 110.311 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.463 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 78.2 mtp -65.79 -34.57 78.46 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 114.996 -1.002 . . . . 1.7 109.675 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.69 -46.57 75.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.844 -0.798 . . . . 1.92 108.844 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.9 m -56.62 -53.26 59.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.299 -0.864 . . . . 0.43 110.114 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.7 99.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.044 -0.525 . . . . 0.29 112.004 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.7 -33.52 75.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.011 0.375 . . . . 0.38 112.011 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.649 HH21 ' HB2' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -67.62 -24.45 65.47 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.471 -0.936 . . . . 2.54 108.471 178.218 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.2 mt -83.72 -34.93 24.79 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.684 -0.689 . . . . 0.4 110.685 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -56.92 -53.7 55.03 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 116.384 -0.371 . . . . 0.64 110.291 177.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 p -64.77 -31.11 72.19 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.204 -0.907 . . . . 1.33 111.171 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.502 ' HA ' ' HE ' ' A' ' 55' ' ' ARG . 1.5 tpm_? -69.36 -44.24 71.97 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.228 -0.896 . . . . 3.79 112.3 -176.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -110.25 -10.22 14.63 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.22 1.192 . . . . 1.17 114.22 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.3 52.53 4.49 Favored Glycine 0 C--N 1.297 -1.625 0 C-N-CA 119.74 -1.219 . . . . 0.91 110.539 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 p -127.69 173.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 N-CA-C 107.427 -1.323 . . . . 1.17 107.427 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.9 m -133.81 128.23 34.32 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 118.678 0.672 . . . . 1.6 110.795 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.2 mt -127.57 108.21 20.84 Favored Pre-proline 0 C--N 1.306 -1.309 0 N-CA-C 108.62 -0.882 . . . . 0.95 108.62 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.462 ' HD2' HG21 ' A' ' 64' ' ' VAL . 43.8 Cg_exo -58.85 157.53 28.18 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.978 2.452 . . . . 0.69 113.114 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.93 -54.21 38.13 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.972 1.309 . . . . 2.19 112.391 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 17.3 t70 -60.88 -40.05 91.54 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.899 -0.591 . . . . 2.48 111.131 -176.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.462 HG21 ' HD2' ' A' ' 61' ' ' PRO . 60.4 t -60.02 -56.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 124.881 1.272 . . . . 0.56 110.73 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.463 ' HB1' ' HA ' ' A' ' 46' ' ' MET . . . -56.34 -37.41 69.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.677 -0.692 . . . . 0.51 111.795 -177.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.53 23.43 36.21 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.334 -0.936 . . . . 0.97 112.242 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 13.0 tpt180 -100.55 -25.07 14.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.341 0.591 . . . . 3.52 109.695 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 73' ' ' GLU . 36.0 m -73.31 130.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.214 -0.903 . . . . 0.5 112.049 -174.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -88.88 -43.86 10.89 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.513 0.673 . . . . 1.88 110.839 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.7 p -115.96 154.23 48.34 Favored Pre-proline 0 C--N 1.303 -1.448 0 CA-C-N 115.698 -0.683 . . . . 0.43 110.066 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -58.5 -21.87 56.51 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.628 2.885 . . . . 0.34 113.883 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.825 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 13.6 ptp180 -67.0 -32.68 74.07 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-O 121.074 0.464 . . . . 2.05 110.098 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 31.1 mt-10 -72.57 -37.41 68.21 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.756 -0.656 . . . . 2.23 109.385 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.98 -39.69 87.25 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 107.778 -1.193 . . . . 1.17 107.778 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.529 ' HB2' HD22 ' A' ' 10' ' ' LEU . 56.8 tp -63.19 -43.57 97.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.539 -0.755 . . . . 0.6 109.649 176.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.31 -27.33 68.53 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.769 -0.65 . . . . 0.89 111.555 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 82.5 mt -60.73 -46.36 90.71 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.779 -0.823 . . . . 1.06 108.779 175.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.539 HG21 ' HG ' ' A' ' 5' ' ' LEU . 44.4 mm -66.45 -55.63 17.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.738 -1.119 . . . . 0.62 109.33 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.867 ' HA ' HD22 ' A' ' 4' ' ' LEU . 15.3 m120 -51.33 -53.61 34.42 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.903 0.752 . . . . 1.45 110.523 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.21 -49.64 75.76 Favored Glycine 0 N--CA 1.428 -1.878 0 CA-C-N 115.088 -0.96 . . . . 0.48 112.919 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.8 89.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 117.441 0.62 . . . . 0.56 111.459 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.12 -41.99 76.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.437 0.532 . . . . 0.72 112.437 -177.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.39 4.16 28.69 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 112.203 0.446 . . . . 0.93 112.203 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -124.56 -57.0 1.58 Allowed 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.666 -0.243 . . . . 2.7 111.135 -178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -91.71 -12.9 32.7 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 113.704 1.001 . . . . 2.73 113.704 -172.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.272 0 CA-C-O 118.7 -0.667 . . . . 5.02 110.424 -178.361 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . 0.54 ' P24' ' H ' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 C--O 1.242 0.695 0 CA-C-O 120.72 0.295 . . . . 5.31 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.699 ' HB3' ' HB3' ' A' ' 82' ' ' LEU . . . -95.9 152.96 18.02 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.019 -0.734 . . . . 1.46 109.019 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.1 m -71.69 107.78 4.7 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 123.596 0.56 . . . . 1.7 110.657 -177.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.682 HD22 ' HA ' ' A' ' 79' ' ' ASN . 55.0 mt -66.82 121.9 16.5 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.862 -0.608 . . . . 1.02 109.735 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.41 148.28 43.46 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.041 -0.527 . . . . 1.37 110.435 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 p -91.89 -173.55 3.53 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 112.724 0.638 . . . . 0.88 112.724 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.421 ' CG2' HD21 ' A' ' 31' ' ' LEU . 30.1 m -66.07 -39.27 89.92 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 123.581 0.753 . . . . 0.7 110.047 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 3.7 m-20 -62.58 -39.74 94.68 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.948 -0.569 . . . . 2.29 112.154 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.38 -42.53 68.31 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 119.809 -0.756 . . . . 1.83 110.025 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.714 HD22 ' HB2' ' A' ' 75' ' ' LEU . 50.3 tp -54.67 -45.85 73.95 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 123.945 0.778 . . . . 0.75 109.598 176.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 15' ' ' VAL . 40.6 ttm180 -52.51 -51.4 59.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.274 -0.875 . . . . 2.88 110.789 177.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 76.2 mtm180 -63.37 -45.58 90.46 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.035 0.445 . . . . 3.46 111.061 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.73 64.96 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 0.63 111.811 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.581 HD23 HD21 ' A' ' 26' ' ' LEU . 29.3 tp -78.78 -41.26 30.97 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.808 -0.441 . . . . 0.62 109.808 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 11' ' ' ARG . 90.1 t -57.92 -34.14 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.576 0.351 . . . . 0.74 110.854 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 13.0 mm-40 -60.17 -34.61 73.82 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.048 -0.524 . . . . 2.04 110.832 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m -76.0 -17.37 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.645 0.736 . . . . 1.3 110.697 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.32 28.33 8.84 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 108.066 -1.087 . . . . 1.93 108.066 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.26 65.83 0.74 Allowed Glycine 0 C--N 1.339 0.714 0 CA-C-N 114.96 -1.018 . . . . 2.29 113.52 -177.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -161.46 106.97 1.33 Allowed 'General case' 0 N--CA 1.427 -1.595 0 C-N-CA 124.903 1.281 . . . . 5.38 109.723 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 m 61.89 61.96 1.32 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.526 -1.215 . . . . 6.11 110.926 -177.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 73.3 -58.28 0.6 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.787 1.635 . . . . 5.17 112.407 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.05 -103.82 1.28 Allowed Glycine 0 N--CA 1.41 -3.048 0 N-CA-C 109.862 -1.295 . . . . 3.06 109.862 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -141.41 172.26 12.93 Favored 'General case' 0 C--N 1.282 -2.359 0 C-N-CA 123.619 0.768 . . . . 2.78 109.193 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -76.91 -53.6 7.66 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.683 -1.228 . . . . 2.9 107.683 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.581 HD21 HD23 ' A' ' 14' ' ' LEU . 12.6 tp 58.5 15.03 3.31 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.204 1.402 . . . . 1.38 113.436 168.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.8 p -94.49 1.59 55.73 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.548 0.944 . . . . 1.8 113.548 -174.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.89 -143.59 14.27 Favored Glycine 0 C--N 1.296 -1.641 0 N-CA-C 110.638 -0.985 . . . . 1.82 110.638 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.437 ' O ' HD13 ' A' ' 33' ' ' LEU . 23.4 t70 -95.14 97.03 9.61 Favored 'General case' 0 CA--C 1.484 -1.566 0 N-CA-C 108.078 -1.082 . . . . 2.57 108.078 175.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -98.9 1.0 45.28 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 115.334 -0.848 . . . . 0.73 110.672 -176.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' ' HB ' ' A' ' 70' ' ' THR . 2.9 mm? -72.38 -27.77 62.59 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.407 -0.36 . . . . 1.26 111.748 -174.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -96.49 -12.29 24.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.628 0.728 . . . . 2.24 110.669 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 29' ' ' ASP . 10.1 mp -77.92 137.9 38.59 Favored 'General case' 0 CA--C 1.488 -1.434 0 CA-C-N 115.424 -0.807 . . . . 1.73 110.319 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -83.1 156.82 23.09 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-N 116.069 -0.514 . . . . 3.1 109.991 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.468 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 75.2 m-85 -69.11 -19.7 64.05 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 115.922 -0.581 . . . . 0.43 112.19 -175.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.75 -32.6 74.36 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 123.535 0.522 . . . . 2.48 110.635 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -72.34 -45.83 58.16 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.291 0.567 . . . . 2.01 110.813 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.9 pt -85.87 12.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 CA-C-N 115.508 -0.769 . . . . 0.65 112.84 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.57 41.17 72.73 Favored Glycine 0 N--CA 1.463 0.494 0 CA-C-N 115.556 -0.747 . . . . 0.55 113.546 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -95.72 135.33 37.56 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 112.82 0.674 . . . . 1.1 112.82 -177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.429 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.8 m-20 -85.32 148.93 25.79 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.549 -1.205 . . . . 1.89 108.416 174.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -61.53 -34.1 74.95 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.574 0.702 . . . . 0.88 109.107 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.15 -36.15 83.11 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.066 -0.97 . . . . 1.7 110.671 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.02 80.74 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.46 109.426 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 64.4 mt -63.41 -38.71 92.2 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.692 0.758 . . . . 0.31 109.51 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.0 mtp -63.13 -37.53 87.57 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.669 -1.15 . . . . 1.7 110.916 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.89 -38.86 79.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.791 -0.448 . . . . 1.92 109.791 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.479 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 29.9 m -52.95 -58.07 8.2 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.651 -0.704 . . . . 0.43 109.151 174.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.93 -37.4 86.88 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.801 -0.636 . . . . 0.29 111.225 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -59.51 -43.43 93.38 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.36 0.504 . . . . 0.38 112.36 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.3 ptp180 -70.05 -24.35 63.24 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.536 0.684 . . . . 2.54 109.98 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 48' ' ' THR . 83.9 mt -81.41 -32.94 32.49 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.697 -0.683 . . . . 0.4 109.551 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.484 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 47.0 mt-10 -55.73 -53.83 51.76 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.811 -0.631 . . . . 0.64 109.467 174.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.7 p -71.19 -24.63 62.26 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.176 -0.92 . . . . 1.33 112.66 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -79.99 -26.09 40.06 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.95 -0.3 . . . . 3.79 111.088 -177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -117.37 -10.66 10.68 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.289 1.218 . . . . 1.17 114.289 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.31 45.62 9.79 Favored Glycine 0 C--N 1.303 -1.264 0 C-N-CA 119.684 -1.246 . . . . 0.91 110.292 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 p -128.65 174.13 12.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 106.194 -1.78 . . . . 1.17 106.194 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 t -143.23 146.21 33.45 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-N 119.197 0.908 . . . . 1.6 110.027 177.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.34 114.94 10.68 Favored Pre-proline 0 C--N 1.307 -1.253 0 C-N-CA 123.951 0.9 . . . . 0.95 108.674 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.41 ' HB2' HG23 ' A' ' 64' ' ' VAL . 50.7 Cg_exo -56.39 147.04 70.32 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.914 2.409 . . . . 0.69 111.675 175.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -60.46 -29.68 69.19 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.784 0.434 . . . . 2.19 112.109 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.46 -15.1 62.78 Favored 'General case' 0 C--O 1.201 -1.498 0 N-CA-C 111.918 0.34 . . . . 2.48 111.918 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 61' ' ' PRO . 56.6 t -85.75 -56.5 5.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 109.238 -0.653 . . . . 0.56 109.238 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.55 74.41 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.38 -0.827 . . . . 0.51 111.962 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.25 39.65 2.78 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.548 -0.834 . . . . 0.97 111.071 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -145.53 17.13 1.49 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 122.361 1.077 . . . . 3.52 109.175 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.488 HG21 HD23 ' A' ' 74' ' ' LEU . 31.5 m -102.54 117.43 47.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 CA-C-N 115.353 -0.839 . . . . 0.5 109.74 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -67.44 -47.97 68.63 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 115.566 -0.743 . . . . 1.88 110.364 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 24.3 p -127.25 157.1 73.53 Favored Pre-proline 0 N--CA 1.427 -1.587 0 CA-C-N 115.592 -0.731 . . . . 0.43 110.502 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.468 ' HG3' ' CE1' ' A' ' 35' ' ' PHE . 31.9 Cg_exo -61.34 -16.9 49.97 Favored 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 123.47 2.78 . . . . 0.34 112.721 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.9 -40.04 83.3 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 109.333 -0.618 . . . . 2.05 109.333 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.636 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.9 mp0 -74.09 -38.6 63.84 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.944 -0.571 . . . . 2.23 110.646 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.52 HD22 HD12 ' A' ' 77' ' ' LEU . 1.8 tm? -62.28 -40.56 96.67 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 108.695 -0.854 . . . . 1.17 108.695 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.714 ' HB2' HD22 ' A' ' 10' ' ' LEU . 63.2 tp -65.05 -44.51 88.78 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 115.682 -0.69 . . . . 0.6 109.325 175.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.33 -36.32 81.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.831 -1.077 . . . . 0.89 112.165 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 90.6 mt -54.51 -50.45 67.78 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.402 0.62 . . . . 1.06 109.686 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.92 -52.59 47.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.915 -1.039 . . . . 0.62 110.584 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.682 ' HA ' HD22 ' A' ' 4' ' ' LEU . 12.6 m120 -60.47 -29.92 69.36 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.497 -0.32 . . . . 1.45 111.826 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.21 -54.44 4.75 Favored Glycine 0 N--CA 1.43 -1.709 0 C-N-CA 120.823 -0.703 . . . . 0.48 111.404 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.12 87.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.437 0.532 . . . . 0.56 112.437 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.699 ' HB3' ' HB3' ' A' ' 2' ' ' ALA . 82.5 mt -73.09 -16.82 61.46 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.774 0.657 . . . . 0.72 112.774 -176.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.02 -40.58 7.56 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.043 0.449 . . . . 0.93 111.343 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -84.36 -34.63 23.58 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 116.167 -0.47 . . . . 2.7 112.042 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 59.35 79.6 0.22 Allowed 'General case' 0 C--O 1.245 0.859 0 C-N-CA 123.952 0.901 . . . . 2.73 110.679 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 CA-C-N 115.156 -0.929 . . . . 5.02 109.144 -177.171 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 CA--C 1.505 -0.779 0 N-CA-C 108.773 -0.825 . . . . 5.31 108.773 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.51 171.89 13.44 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.627 -0.879 . . . . 1.46 108.627 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.6 m -74.97 106.86 6.68 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.969 -0.752 . . . . 1.7 108.969 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.9 mt -89.84 133.6 34.64 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.739 -0.837 . . . . 1.02 108.739 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 56' ' ' TYR . 1.1 pp -75.42 147.29 40.07 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 120.136 -0.626 . . . . 1.37 111.75 176.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.1 p -97.82 -170.81 2.05 Favored 'General case' 0 C--N 1.293 -1.866 0 CA-C-N 115.168 -0.924 . . . . 0.88 110.521 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -64.29 -49.31 72.32 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 107.814 -1.18 . . . . 0.7 107.814 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.0 -38.85 92.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.83 -1.077 . . . . 2.29 111.73 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -62.67 -48.11 80.73 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 110.26 -0.274 . . . . 1.83 110.26 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 tp -56.72 -49.46 75.09 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 124.041 0.838 . . . . 0.75 109.816 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.483 ' HG3' HD23 ' A' ' 26' ' ' LEU . 19.5 ttp85 -51.74 -54.59 26.74 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.821 0.7 . . . . 2.88 111.522 178.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -62.44 -35.27 78.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.81 0.67 . . . . 3.46 112.81 -177.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.11 -45.23 58.19 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.391 0.615 . . . . 0.63 110.503 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.621 HD23 HD21 ' A' ' 26' ' ' LEU . 34.1 tp -63.31 -41.45 98.94 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 124.509 1.124 . . . . 0.62 112.228 -175.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.39 -17.46 16.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 122.259 1.028 . . . . 0.74 110.114 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -35.26 31.13 Favored 'General case' 0 N--CA 1.422 -1.837 0 N-CA-C 107.593 -1.262 . . . . 2.04 107.593 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.435 ' OG ' ' HD3' ' A' ' 51' ' ' ARG . 9.3 m -62.78 -45.58 91.99 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.419 0.628 . . . . 1.3 110.048 175.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.32 107.7 4.08 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 108.69 -0.856 . . . . 1.93 108.69 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.28 44.83 1.42 Allowed Glycine 0 C--N 1.286 -2.238 0 N-CA-C 111.272 -0.731 . . . . 2.29 111.272 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -75.74 150.24 37.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.597 0.237 . . . . 5.38 110.781 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.9 p 50.01 67.0 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 124.718 1.207 . . . . 6.11 112.153 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 t70 72.07 -21.66 0.22 Allowed 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 124.947 1.299 . . . . 5.17 112.27 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.69 14.17 61.73 Favored Glycine 0 N--CA 1.438 -1.225 0 N-CA-C 109.596 -1.402 . . . . 3.06 109.596 -175.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.9 p 53.69 -174.28 0.03 OUTLIER 'General case' 0 C--O 1.24 0.603 0 C-N-CA 125.662 1.585 . . . . 2.78 113.46 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.4 -50.43 5.46 Favored 'General case' 0 CA--C 1.486 -1.511 0 N-CA-C 106.033 -1.84 . . . . 2.9 106.033 171.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.621 HD21 HD23 ' A' ' 14' ' ' LEU . 15.3 tp 56.55 21.56 5.81 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.541 1.537 . . . . 1.38 110.439 176.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 m -103.85 99.82 9.6 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 115.65 -0.705 . . . . 1.8 110.155 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.04 -150.61 22.28 Favored Glycine 0 N--CA 1.421 -2.359 0 N-CA-C 108.686 -1.766 . . . . 1.82 108.686 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -88.22 97.38 10.98 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 122.311 1.053 . . . . 2.57 108.202 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 49.4 p90 -110.72 8.21 22.47 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 114.956 -1.02 . . . . 0.73 110.174 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.682 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 2.6 mm? -68.35 -27.84 66.61 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.092 -0.504 . . . . 1.26 111.541 -173.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -97.25 -4.31 39.09 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.189 -0.46 . . . . 2.24 110.909 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.5 tp -81.52 106.08 13.19 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.588 -0.893 . . . . 1.73 108.588 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.406 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 64.7 mtp180 -60.85 141.76 56.81 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.337 -0.847 . . . . 3.1 111.293 -176.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.486 ' HB3' ' HB2' ' A' ' 40' ' ' TYR . 56.0 m-85 -64.5 -31.27 72.41 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.087 -0.96 . . . . 0.43 111.427 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -54.93 -44.62 74.41 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.361 0.665 . . . . 2.48 110.354 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 36.2 m-20 -69.47 -26.55 64.63 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.26 -0.427 . . . . 2.01 111.894 -176.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.8 pt -106.49 19.62 5.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 113.431 0.9 . . . . 0.65 113.431 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.43 42.34 99.08 Favored Glycine 0 C--N 1.319 -0.407 0 CA-C-N 115.746 -0.661 . . . . 0.55 114.273 176.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.486 ' HB2' ' HB3' ' A' ' 35' ' ' PHE . 6.7 m-85 -106.67 109.43 21.33 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 122.398 -0.472 . . . . 1.1 110.829 177.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.732 ' HA ' H421 ' A' ' 87' ' ' PNS . 4.8 m-20 -79.47 164.67 23.76 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.853 -1.165 . . . . 1.89 107.853 176.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.59 ' HB2' H282 ' A' ' 87' ' ' PNS . 59.4 m -52.26 -35.33 49.63 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.357 0.411 . . . . 0.88 111.059 175.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.11 -40.91 71.01 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.544 0.738 . . . . 1.7 111.369 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.91 -32.43 57.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.498 0.666 . . . . 0.46 110.737 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 mt -75.47 -42.91 51.92 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.869 -0.605 . . . . 0.31 110.434 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.3 mtt -64.27 -36.75 85.12 Favored 'General case' 0 CA--C 1.5 -0.962 0 CA-C-N 115.71 -0.677 . . . . 1.7 109.782 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 8.0 tp10 -58.66 -50.56 73.41 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.89 -0.781 . . . . 1.92 108.89 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.546 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 91.7 m -55.64 -51.2 68.01 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 114.5 -1.227 . . . . 0.43 110.54 177.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -59.57 -46.03 90.12 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 121.087 -0.245 . . . . 0.29 110.908 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -57.58 -48.66 78.75 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.469 0.708 . . . . 0.38 112.702 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 11.2 ptm180 -64.45 -30.99 72.02 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.198 0.523 . . . . 2.54 111.273 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 48' ' ' THR . 95.3 mt -75.97 -35.78 59.51 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.356 -0.383 . . . . 0.4 110.412 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 47.5 mt-10 -55.27 -48.54 73.88 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.577 0.548 . . . . 0.64 109.675 176.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.1 m -61.68 -34.36 75.61 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.93 -1.032 . . . . 1.33 113.336 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.473 ' HD2' ' CE2' ' A' ' 56' ' ' TYR . 36.5 ttm180 -87.03 -42.73 12.86 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.954 0.407 . . . . 3.79 111.885 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.499 ' CE2' HD23 ' A' ' 5' ' ' LEU . 99.3 m-85 -96.14 -18.43 20.13 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 114.452 1.279 . . . . 1.17 114.452 -170.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.81 62.31 2.15 Favored Glycine 0 C--N 1.309 -0.968 0 C-N-CA 119.716 -1.231 . . . . 0.91 110.722 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.507 ' CG1' ' HA ' ' A' ' 53' ' ' GLU . 7.1 p -136.87 151.93 28.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 108.017 -1.105 . . . . 1.17 108.017 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.2 m -116.25 116.81 28.45 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.472 -0.566 . . . . 1.6 109.472 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.502 HD11 HD13 ' A' ' 78' ' ' ILE . 63.2 mt -122.43 109.35 32.97 Favored Pre-proline 0 C--N 1.311 -1.1 0 CA-C-O 120.803 0.335 . . . . 0.95 110.33 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.96 157.37 53.2 Favored 'Trans proline' 0 C--O 1.255 1.345 0 C-N-CA 123.301 2.667 . . . . 0.69 113.6 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -49.86 -59.01 4.25 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.148 1.779 . . . . 2.19 112.995 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 24.5 t70 -53.68 -42.65 68.16 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.005 0.522 . . . . 2.48 111.315 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.44 -59.49 4.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 114.424 -1.262 . . . . 0.56 110.995 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.29 -16.16 61.6 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.772 0.656 . . . . 0.51 112.772 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.23 4.46 44.59 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.229 -0.986 . . . . 0.97 111.757 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 42.5 ttp180 -104.42 -13.81 15.95 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.284 0.564 . . . . 3.52 110.044 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.553 HG11 HD11 ' A' ' 77' ' ' LEU . 31.1 m -72.97 105.41 2.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-O 121.82 0.819 . . . . 0.5 111.786 -177.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.18 -40.91 67.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.506 -0.77 . . . . 1.88 112.383 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 25.5 p -122.56 158.04 57.54 Favored Pre-proline 0 C--N 1.303 -1.424 0 CA-C-N 116.267 -0.424 . . . . 0.43 110.986 -177.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.682 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.8 Cg_exo -57.87 -18.68 35.83 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 123.167 2.578 . . . . 0.34 112.138 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 31' ' ' LEU . 37.4 mmt180 -50.68 -53.96 26.92 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 108.603 -0.888 . . . . 2.05 108.603 172.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.57 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 6.1 mm-40 -66.35 -49.27 67.49 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 113.563 -1.653 . . . . 2.23 110.735 -175.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.44 -42.72 96.7 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.917 -0.583 . . . . 1.17 109.99 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.2 tp -65.95 -44.2 85.69 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 108.927 -0.768 . . . . 0.6 108.927 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -59.06 -41.15 87.23 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 114.502 -1.226 . . . . 0.89 111.295 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 77.5 mt -52.61 -55.06 25.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.437 0.695 . . . . 1.06 110.576 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.502 HD13 HD11 ' A' ' 60' ' ' ILE . 36.6 mm -65.07 -60.56 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-N 114.588 -1.187 . . . . 0.62 110.137 -177.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -50.14 -52.99 30.64 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.712 0.633 . . . . 1.45 112.443 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.27 99.35 Favored Glycine 0 C--O 1.239 0.461 0 O-C-N 123.49 0.494 . . . . 0.48 113.565 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.42 -34.62 67.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.811 0.339 . . . . 0.56 111.296 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 56' ' ' TYR . 79.2 mt -73.36 -21.97 60.4 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.723 0.297 . . . . 0.72 111.328 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.58 1.43 46.03 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 120.807 0.337 . . . . 0.93 110.976 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -132.77 -46.36 0.87 Allowed 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 113.102 0.779 . . . . 2.7 113.102 -177.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.06 21.15 15.29 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.988 0.423 . . . . 2.73 111.748 -175.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.268 0 N-CA-C 109.918 -0.401 . . . . 5.02 109.918 -179.146 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . 0.732 H421 ' HA ' ' A' ' 41' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 CA--C 1.503 -0.828 0 N-CA-C 108.437 -0.949 . . . . 5.31 108.437 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.12 121.01 43.65 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.329 -0.989 . . . . 1.46 108.329 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 t -73.64 106.55 5.45 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-O 122.455 1.122 . . . . 1.7 109.047 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 79' ' ' ASN . 89.1 mt -101.2 132.6 46.62 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.992 -1.004 . . . . 1.02 108.873 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 1.9 pt? -75.37 139.79 42.6 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.149 -0.478 . . . . 1.37 110.367 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.9 p -101.89 -169.33 1.66 Allowed 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.591 -0.731 . . . . 0.88 109.213 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.583 HG23 HD21 ' A' ' 31' ' ' LEU . 28.0 m -55.24 -54.45 43.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.029 0.532 . . . . 0.7 111.213 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 24.3 t70 -63.32 -38.13 89.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.984 0.365 . . . . 2.29 111.984 -177.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 26.6 m-20 -60.64 -47.07 87.87 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 108.906 -0.775 . . . . 1.83 108.906 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.404 HD22 ' HB2' ' A' ' 75' ' ' LEU . 62.1 tp -63.15 -42.1 99.39 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.163 -0.926 . . . . 0.75 110.223 178.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.2 ttp85 -53.4 -52.92 57.77 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 123.51 0.506 . . . . 2.88 110.676 178.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 68.3 mtt180 -57.23 -48.87 77.74 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 123.685 0.616 . . . . 3.46 110.641 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.65 -31.17 70.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.833 -0.622 . . . . 0.63 112.466 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.682 ' HG ' HD21 ' A' ' 26' ' ' LEU . 58.2 tp -81.94 -34.19 29.95 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.447 -0.342 . . . . 0.62 111.367 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.497 HG22 HD23 ' A' ' 26' ' ' LEU . 50.5 t -75.34 -23.73 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.825 -0.806 . . . . 0.74 108.825 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.97 -36.7 77.68 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.142 -0.935 . . . . 2.04 110.027 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.44 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 13.8 m -79.31 -10.18 59.75 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 120.871 0.367 . . . . 1.3 111.328 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.2 -30.36 11.96 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.43 0.633 . . . . 1.93 109.586 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.06 -160.09 40.22 Favored Glycine 0 N--CA 1.429 -1.77 0 N-CA-C 110.603 -0.999 . . . . 2.29 110.603 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -92.41 73.2 5.24 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.945 0.878 . . . . 5.38 109.602 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 p -123.36 -140.29 0.31 Allowed 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 106.562 -1.644 . . . . 6.11 106.562 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.23 -62.54 1.63 Allowed 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 107.592 -1.262 . . . . 5.17 107.592 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.48 1.84 89.05 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 110.535 -1.026 . . . . 3.06 110.535 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.434 HG21 HG22 ' A' ' 38' ' ' ILE . 11.0 m 60.39 38.84 19.23 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.042 0.937 . . . . 2.78 109.204 -176.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 68.53 -66.07 0.25 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.083 1.353 . . . . 2.9 110.252 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.682 HD21 ' HG ' ' A' ' 14' ' ' LEU . 12.2 tp 62.03 30.28 17.89 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 125.377 1.471 . . . . 1.38 110.316 173.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.0 m -114.16 163.23 15.5 Favored 'General case' 0 N--CA 1.426 -1.645 0 CA-C-N 114.85 -1.068 . . . . 1.8 109.151 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.35 -136.36 21.13 Favored Glycine 0 N--CA 1.434 -1.472 0 N-CA-C 108.848 -1.701 . . . . 1.82 108.848 -175.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -97.85 122.66 41.23 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.092 -1.077 . . . . 2.57 108.092 174.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.52 ' HA ' HD23 ' A' ' 33' ' ' LEU . 43.4 p90 -125.34 14.53 8.3 Favored 'General case' 0 C--N 1.278 -2.542 0 CA-C-N 115.964 -0.562 . . . . 0.73 109.697 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.642 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.0 mm? -78.92 -23.59 44.62 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.216 -0.447 . . . . 1.26 112.176 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -93.79 3.65 55.11 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.686 0.625 . . . . 2.24 112.686 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 30' ' ' PHE . 3.2 mm? -99.8 149.84 22.95 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 109.512 -0.551 . . . . 1.73 109.512 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -89.02 146.45 24.85 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.443 0.639 . . . . 3.1 112.326 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.665 ' HA ' HG12 ' A' ' 38' ' ' ILE . 62.6 m-85 -64.1 -32.17 73.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.127 -0.942 . . . . 0.43 112.633 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -23.55 63.95 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 112.525 0.565 . . . . 2.48 112.525 -178.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -87.78 -25.91 23.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.127 0.489 . . . . 2.01 110.619 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.665 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -90.09 18.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 112.453 0.538 . . . . 0.65 112.453 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.23 32.41 65.47 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.55 113.964 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 1.4 m-85 -110.76 138.55 47.02 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 113.491 0.922 . . . . 1.1 113.491 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 32.0 m-20 -94.5 166.19 12.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 115.29 -0.868 . . . . 1.89 109.66 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.419 ' H ' ' P24' ' A' ' 87' ' ' PNS . 3.6 m -66.55 -41.54 88.5 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.99 0.9 . . . . 0.88 108.685 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.52 -31.31 72.31 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.337 -1.301 . . . . 1.7 110.08 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.2 -23.83 54.65 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.619 -0.719 . . . . 0.46 110.333 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 40.2 mt -74.78 -39.36 61.8 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 108.851 -0.796 . . . . 0.31 108.851 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.6 mtt -63.2 -42.34 99.29 Favored 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 114.842 -1.072 . . . . 1.7 108.324 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -58.64 -44.46 90.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.595 0.758 . . . . 1.92 110.301 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.481 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 96.0 m -61.74 -52.46 64.17 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.406 -0.815 . . . . 0.43 109.984 177.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.46 -36.32 77.97 Favored 'General case' 0 C--O 1.203 -1.344 0 CA-C-N 116.163 -0.471 . . . . 0.29 110.984 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.16 76.06 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.642 0.777 . . . . 0.38 112.679 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.5 ptp180 -70.19 -33.62 71.95 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 119.686 -0.806 . . . . 2.54 109.255 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.3 -40.52 74.21 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.395 -0.821 . . . . 0.4 109.961 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.581 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.2 mt-10 -59.29 -46.66 87.95 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 123.119 0.568 . . . . 0.64 109.981 176.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 m -63.14 -48.53 78.08 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.015 0.822 . . . . 1.33 110.966 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -68.36 -53.74 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.502 0.556 . . . . 3.79 112.502 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -83.7 -15.78 47.45 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.492 0.923 . . . . 1.17 113.492 -172.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.19 63.31 2.18 Favored Glycine 0 C--O 1.243 0.712 0 C-N-CA 120.654 -0.784 . . . . 0.91 111.305 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 53' ' ' GLU . 14.3 p -141.67 169.04 14.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 108.98 -0.748 . . . . 1.17 108.98 -177.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -134.62 121.83 21.44 Favored 'General case' 0 C--O 1.248 0.994 0 N-CA-C 109.095 -0.706 . . . . 1.6 109.095 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.545 HD11 HD13 ' A' ' 78' ' ' ILE . 64.2 mt -125.32 124.49 25.18 Favored Pre-proline 0 C--N 1.316 -0.881 0 N-CA-C 109.82 -0.437 . . . . 0.95 109.82 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.469 ' HB2' HG23 ' A' ' 64' ' ' VAL . 45.7 Cg_exo -59.33 142.73 99.5 Favored 'Trans proline' 0 C--O 1.253 1.233 0 C-N-CA 122.891 2.394 . . . . 0.69 111.43 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -57.94 -46.66 84.71 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 115.663 -0.699 . . . . 2.19 111.467 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -53.93 -43.13 69.51 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.511 0.507 . . . . 2.48 111.334 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.469 HG23 ' HB2' ' A' ' 61' ' ' PRO . 58.1 t -62.19 -55.98 20.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 114.97 -1.014 . . . . 0.56 109.799 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.414 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -59.34 -31.26 69.02 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 115.856 -0.611 . . . . 0.51 111.793 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.91 -1.68 88.77 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.519 -0.848 . . . . 0.97 113.054 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -118.2 14.83 14.0 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.993 0.738 . . . . 3.52 112.993 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 74' ' ' LEU . 17.4 m -89.05 105.51 15.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 108.685 -0.857 . . . . 0.5 108.685 174.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.78 -51.22 70.47 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.262 -0.881 . . . . 1.88 111.123 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -114.51 152.44 46.16 Favored Pre-proline 0 C--N 1.312 -1.044 0 CA-C-N 115.469 -0.787 . . . . 0.43 110.931 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 33' ' ' LEU . 42.1 Cg_exo -60.14 -23.68 74.46 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 123.641 2.894 . . . . 0.34 113.311 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.642 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.8 ttm180 -62.27 -37.43 85.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.199 0.523 . . . . 2.05 110.434 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.517 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 35.7 mt-10 -69.19 -39.55 78.61 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.284 -0.871 . . . . 2.23 110.019 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.498 HD22 HD12 ' A' ' 77' ' ' LEU . 3.0 tm? -68.19 -38.94 82.53 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.829 -0.804 . . . . 1.17 108.829 178.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' HB2' HD22 ' A' ' 10' ' ' LEU . 53.4 tp -57.94 -50.51 73.11 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 123.788 0.835 . . . . 0.6 109.387 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -59.52 -35.11 73.54 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 115.166 -0.924 . . . . 0.89 113.014 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 86.8 mt -57.34 -43.6 83.58 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.404 0.44 . . . . 1.06 110.741 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.545 HD13 HD11 ' A' ' 60' ' ' ILE . 36.0 mm -72.71 -57.13 7.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.49 -0.93 . . . . 0.62 108.49 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.453 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.0 m120 -47.5 -54.57 11.19 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.777 0.831 . . . . 1.45 112.355 -178.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.99 -47.12 86.14 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.932 -0.576 . . . . 0.48 113.441 -176.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.54 73.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.962 0.381 . . . . 0.56 111.803 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.13 -43.98 63.87 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 121.01 -0.276 . . . . 0.72 110.48 177.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.24 77.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.999 -0.546 . . . . 0.93 111.26 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.57 -16.22 62.3 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 121.34 0.59 . . . . 2.7 110.592 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.48 11.64 32.32 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.077 0.465 . . . . 2.73 110.408 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-N 116.139 -0.482 . . . . 5.02 110.226 -179.214 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . 0.539 H281 ' H36' ' A' ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 mtm . . . . . 0 CA--C 1.504 -0.8 0 N-CA-C 108.205 -1.035 . . . . 5.31 108.205 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.66 171.52 14.23 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 109.251 -0.648 . . . . 1.46 109.251 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.472 HG23 ' HD1' ' A' ' 56' ' ' TYR . 6.0 t -135.47 106.63 6.73 Favored 'General case' 0 N--CA 1.42 -1.926 0 N-CA-C 107.233 -1.395 . . . . 1.7 107.233 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.3 mt -74.44 129.79 38.42 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.169 -0.923 . . . . 1.02 110.64 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.493 HD23 ' CE2' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -71.05 147.41 48.56 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.835 -0.621 . . . . 1.37 111.301 176.132 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -102.89 -170.2 1.76 Allowed 'General case' 0 N--CA 1.411 -2.394 0 CA-C-N 115.182 -0.917 . . . . 0.88 110.843 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.635 HG23 HD21 ' A' ' 31' ' ' LEU . 26.9 m -65.46 -48.33 73.05 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 123.943 0.897 . . . . 0.7 109.356 -177.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.76 -30.89 71.79 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.003 -0.544 . . . . 2.29 111.152 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -66.81 -50.09 63.73 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 116.502 -0.317 . . . . 1.83 110.468 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 75' ' ' LEU . 48.1 tp -64.49 -36.17 83.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.01 -0.541 . . . . 0.75 110.144 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.532 ' O ' HG23 ' A' ' 15' ' ' VAL . 59.0 ttt180 -55.79 -57.2 13.01 Favored 'General case' 0 CA--C 1.517 -0.289 0 O-C-N 123.678 0.611 . . . . 2.88 109.542 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -60.15 -41.73 93.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.512 -0.767 . . . . 3.46 111.673 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.55 -28.79 68.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.264 -0.426 . . . . 0.63 112.145 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.594 HD23 HD21 ' A' ' 26' ' ' LEU . 34.5 tp -85.6 -23.65 27.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.521 0.677 . . . . 0.62 110.474 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 11' ' ' ARG . 57.9 t -77.51 -28.18 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.354 -0.98 . . . . 0.74 108.354 173.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.68 -39.24 90.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.753 -1.112 . . . . 2.04 109.759 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.555 ' HB3' HH22 ' A' ' 51' ' ' ARG . 1.8 p -77.3 -21.63 53.24 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.271 0.557 . . . . 1.3 111.812 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.2 -9.19 58.32 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.025 -0.534 . . . . 1.93 110.953 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.94 -60.89 2.32 Favored Glycine 0 N--CA 1.433 -1.553 0 C-N-CA 120.774 -0.726 . . . . 2.29 111.968 176.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -113.58 157.28 22.28 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.034 -0.728 . . . . 5.38 109.034 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.442 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 1.9 m -74.58 55.49 0.65 Allowed 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 125.303 1.441 . . . . 6.11 111.871 -175.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.73 -60.42 2.06 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.96 -0.462 . . . . 5.17 110.303 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.04 63.29 2.09 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 110.276 -1.13 . . . . 3.06 110.276 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 m -43.1 77.17 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 127.895 2.478 . . . . 2.78 113.753 -175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 64.59 16.2 10.15 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.954 0.902 . . . . 2.9 111.274 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.594 HD21 HD23 ' A' ' 14' ' ' LEU . 6.6 mp -79.84 25.73 0.35 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.341 1.056 . . . . 1.38 113.242 -176.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.2 m -79.66 88.12 5.17 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.09 0.472 . . . . 1.8 111.626 -176.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.04 -70.5 2.91 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.886 -0.597 . . . . 1.82 112.518 177.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -87.34 91.74 8.83 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.509 -0.552 . . . . 2.57 109.509 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.462 ' HB3' ' HA ' ' A' ' 26' ' ' LEU . 40.8 p90 -132.09 -2.29 3.6 Favored 'General case' 0 C--O 1.207 -1.142 0 C-N-CA 120.467 -0.493 . . . . 0.73 111.535 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.635 HD21 HG23 ' A' ' 7' ' ' THR . 2.4 mm? -78.2 -26.67 47.63 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.155 -0.683 . . . . 1.26 109.155 -177.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.87 -30.93 45.32 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.182 -1.372 . . . . 2.24 110.124 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.5 mt -71.69 123.73 23.2 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 108.023 -1.103 . . . . 1.73 108.023 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -78.15 158.06 29.21 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 109.36 -0.607 . . . . 3.1 109.36 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -66.97 -21.04 65.98 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.15 0.5 . . . . 0.43 110.585 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.51 -26.06 64.35 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.201 -0.909 . . . . 2.48 109.417 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -79.6 -38.7 33.34 Favored 'General case' 0 CA--C 1.505 -0.782 0 O-C-N 121.921 -0.487 . . . . 2.01 110.265 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.6 pt -98.21 11.92 5.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 113.373 0.879 . . . . 0.65 113.373 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.08 45.18 96.61 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 115.844 -0.616 . . . . 0.55 114.163 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -106.47 125.61 51.22 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 113.066 0.765 . . . . 1.1 113.066 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.542 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 35.4 t70 -90.86 165.45 13.6 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.777 -1.102 . . . . 1.89 110.9 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -58.46 -46.26 86.94 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 125.118 1.367 . . . . 0.88 110.724 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.418 ' HA ' ' SD ' ' A' ' 46' ' ' MET . 7.9 mp -67.69 -27.41 66.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.044 0.449 . . . . 1.7 111.394 -177.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.85 -37.2 62.29 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.844 -0.616 . . . . 0.46 109.503 177.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 83.9 mt -65.44 -39.18 91.76 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.677 -0.692 . . . . 0.31 110.321 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.478 ' HE3' ' HB3' ' A' ' 62' ' ' ASP . 71.3 mtp -59.09 -47.88 83.64 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.09 -0.959 . . . . 1.7 110.26 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -58.59 -43.38 89.47 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.083 -0.71 . . . . 1.92 109.083 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.568 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 72.0 m -59.83 -54.94 40.41 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.844 -1.071 . . . . 0.43 110.543 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.04 -38.42 88.63 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 112.117 0.414 . . . . 0.29 112.117 -178.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -56.65 -39.22 73.33 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.265 0.555 . . . . 0.38 111.813 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.568 ' NH2' ' HA ' ' A' ' 48' ' ' THR . 13.4 ttp-105 -64.04 -32.53 74.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.621 -0.718 . . . . 2.54 111.067 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt -79.36 -37.22 37.94 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 115.575 -0.739 . . . . 0.4 110.293 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.518 ' OE2' ' HA ' ' A' ' 50' ' ' ALA . 45.2 mt-10 -54.52 -59.33 4.83 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 123.785 0.678 . . . . 0.64 110.914 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -65.49 -24.38 67.14 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.272 -0.877 . . . . 1.33 111.991 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -81.93 -45.53 15.3 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 112.144 0.424 . . . . 3.79 112.144 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.493 ' CE2' HD23 ' A' ' 5' ' ' LEU . 97.9 m-85 -96.51 -11.9 24.85 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.39 0.515 . . . . 1.17 112.39 -175.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.47 63.41 1.56 Allowed Glycine 0 N--CA 1.433 -1.538 0 C-N-CA 120.673 -0.775 . . . . 0.91 111.816 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 p -149.29 167.59 3.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 107.518 -1.29 . . . . 1.17 107.518 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 p -141.62 121.74 13.8 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.037 0.446 . . . . 1.6 110.722 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.403 HD12 HD13 ' A' ' 78' ' ' ILE . 69.2 mt -126.35 125.28 24.56 Favored Pre-proline 0 C--N 1.3 -1.578 0 N-CA-C 108.791 -0.818 . . . . 0.95 108.791 -177.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HB2' HG23 ' A' ' 64' ' ' VAL . 93.4 Cg_exo -47.14 140.78 13.78 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.683 2.922 . . . . 0.69 113.038 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.478 ' HB3' ' HE3' ' A' ' 46' ' ' MET . 14.0 m-20 -53.24 -51.86 60.82 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 124.729 1.212 . . . . 2.19 111.893 -174.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -53.77 -44.22 69.87 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.808 0.843 . . . . 2.48 111.876 -177.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 61' ' ' PRO . 63.0 t -56.55 -44.52 80.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 124.653 1.181 . . . . 0.56 111.204 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.3 -25.85 66.07 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.825 -0.625 . . . . 0.51 111.941 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.75 0.75 67.75 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.712 -0.756 . . . . 0.97 112.468 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -89.24 -4.83 58.04 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 122.17 -0.606 . . . . 3.52 111.566 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.1 m -86.71 119.88 35.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-O 121.768 0.794 . . . . 0.5 111.36 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -84.67 -34.05 23.09 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.187 -0.915 . . . . 1.88 108.856 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 p -120.83 145.05 40.41 Favored Pre-proline 0 N--CA 1.433 -1.305 0 CA-C-N 114.642 -1.163 . . . . 0.43 110.097 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 31.3 Cg_exo -62.85 -19.8 69.62 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 123.434 2.756 . . . . 0.34 111.842 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.75 -41.28 77.27 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.623 -0.717 . . . . 2.05 109.551 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 67.0 mm-40 -74.66 -39.77 61.84 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.342 -0.845 . . . . 2.23 110.82 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.16 -45.23 95.47 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 108.21 -1.033 . . . . 1.17 108.21 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.452 HD12 HD13 ' A' ' 5' ' ' LEU . 37.5 tp -57.65 -50.17 74.04 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 124.057 0.943 . . . . 0.6 109.025 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.57 -35.97 79.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.523 -1.217 . . . . 0.89 111.956 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 77.9 mt -56.61 -54.26 48.13 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 120.823 0.344 . . . . 1.06 110.406 177.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.403 HD13 HD12 ' A' ' 60' ' ' ILE . 39.9 mm -64.74 -51.55 65.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.488 -0.778 . . . . 0.62 109.611 -177.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -52.37 -53.61 42.53 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.562 0.539 . . . . 1.45 110.868 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.08 -48.71 84.66 Favored Glycine 0 C--O 1.218 -0.888 0 CA-C-N 115.691 -0.686 . . . . 0.48 112.946 -177.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.07 -37.44 85.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.02 0.41 . . . . 0.56 111.773 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.12 -43.85 70.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.515 0.198 . . . . 0.72 110.556 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.27 -20.98 60.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.214 0.53 . . . . 0.93 111.849 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.17 -32.5 72.79 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.259 0.552 . . . . 2.7 109.95 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.65 13.37 34.99 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.602 -0.727 . . . . 2.73 109.784 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.476 0 N-CA-C 109.117 -0.698 . . . . 5.02 109.117 -179.361 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.471 ' N ' ' HA ' ' A' ' 86' ' ' ALA . 66.4 mtt . . . . . 0 CA--C 1.501 -0.928 0 N-CA-C 108.34 -0.985 . . . . 5.31 108.34 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.19 154.43 36.85 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.584 -0.895 . . . . 1.46 108.584 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 t -106.0 107.1 17.92 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 122.413 1.102 . . . . 1.7 109.388 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.95 125.52 31.49 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 114.606 -1.179 . . . . 1.02 108.371 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.98 146.36 39.63 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 110.023 -0.362 . . . . 1.37 110.023 -176.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.3 p -92.84 -170.77 2.53 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 112.85 0.685 . . . . 0.88 112.85 -172.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.4 m -59.22 -54.45 46.75 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.829 0.852 . . . . 0.7 110.226 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.426 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 24.8 t70 -66.03 -28.26 68.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.571 -0.286 . . . . 2.29 111.331 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.57 -52.17 64.45 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.604 -0.517 . . . . 1.83 109.604 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.603 HD22 ' HB2' ' A' ' 75' ' ' LEU . 57.3 tp -62.23 -41.99 98.91 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.78 -0.646 . . . . 0.75 109.47 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.763 ' HG3' ' HB2' ' A' ' 26' ' ' LEU . 41.3 ttm180 -50.78 -57.28 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.368 1.067 . . . . 2.88 110.75 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 51.5 mtt180 -68.11 -39.81 82.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.62 -0.264 . . . . 3.46 111.389 -177.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.6 73.75 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.295 0.48 . . . . 0.63 112.295 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD23 HD11 ' A' ' 26' ' ' LEU . 44.2 tp -77.01 -37.42 55.01 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.825 -0.435 . . . . 0.62 109.825 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.496 HG13 ' H ' ' A' ' 23' ' ' GLY . 94.8 t -62.18 -36.66 75.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 CA-C-N 116.197 -0.456 . . . . 0.74 109.83 176.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 31.5 mm-40 -56.16 -33.61 65.39 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.69 -0.687 . . . . 2.04 111.358 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 m -78.23 -25.12 46.8 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.156 0.503 . . . . 1.3 111.179 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.39 -39.55 38.76 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.24 0.543 . . . . 1.93 109.79 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.9 144.82 10.04 Favored Glycine 0 N--CA 1.43 -1.749 0 N-CA-C 109.534 -1.427 . . . . 2.29 109.534 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 63.92 -177.71 0.16 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.865 0.866 . . . . 5.38 111.56 -175.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -102.85 29.97 5.05 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.332 -1.358 . . . . 6.11 107.332 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -140.9 41.42 1.83 Allowed 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 114.421 -1.263 . . . . 5.17 107.97 -176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.496 ' H ' HG13 ' A' ' 15' ' ' VAL . . . -59.9 -56.09 26.71 Favored Glycine 0 CA--C 1.509 -0.34 0 N-CA-C 111.571 -0.612 . . . . 3.06 111.571 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 t -170.03 -171.05 1.08 Allowed 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 106.096 -1.816 . . . . 2.78 106.096 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -114.4 106.23 14.05 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.788 -0.765 . . . . 2.9 110.46 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.763 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 83.7 mt -107.04 37.95 2.23 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 114.882 -1.054 . . . . 1.38 108.909 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 m -91.14 -4.43 56.18 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.485 -0.78 . . . . 1.8 111.646 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.58 -166.24 27.38 Favored Glycine 0 C--N 1.288 -2.104 0 N-CA-C 108.646 -1.782 . . . . 1.82 108.646 177.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -82.27 83.56 7.38 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.089 -1.078 . . . . 2.57 108.089 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 33' ' ' LEU . 33.1 p90 -83.47 0.44 46.32 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 114.817 -1.083 . . . . 0.73 111.199 -175.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.6 mm? -69.27 -36.99 77.65 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.774 -0.37 . . . . 1.26 111.442 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.56 -3.3 33.68 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.288 -0.565 . . . . 2.24 110.379 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 30' ' ' PHE . 59.7 tp -73.36 106.07 5.02 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.442 -0.948 . . . . 1.73 108.442 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -63.84 149.55 46.73 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.904 -0.589 . . . . 3.1 112.338 -171.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -66.53 -29.15 69.18 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.423 -0.808 . . . . 0.43 111.146 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.22 -25.1 66.75 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.077 0.465 . . . . 2.48 110.268 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -82.43 -37.63 25.2 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 120.86 0.362 . . . . 2.01 110.511 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.7 pt -90.05 14.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 112.653 0.612 . . . . 0.65 112.653 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.74 49.17 75.29 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.511 -0.768 . . . . 0.55 114.081 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.54 126.61 55.12 Favored 'General case' 0 N--CA 1.423 -1.784 0 N-CA-C 112.292 0.479 . . . . 1.1 112.292 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.656 ' HB3' H312 ' A' ' 87' ' ' PNS . 39.0 m-20 -97.97 174.72 6.42 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.884 -1.154 . . . . 1.89 107.884 175.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' MET . 65.2 m -59.04 -39.04 80.78 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.187 1.18 . . . . 0.88 114.187 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.3 -43.12 96.58 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.603 0.594 . . . . 1.7 112.603 -177.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.36 73.82 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.145 0.498 . . . . 0.46 110.841 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 45.9 mt -72.17 -39.34 68.77 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.407 -0.59 . . . . 0.31 109.407 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.424 ' HG3' ' O ' ' A' ' 42' ' ' SER . 60.0 mtt -65.88 -42.65 90.05 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 115.126 -0.943 . . . . 1.7 109.786 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.35 -43.56 83.57 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 121.77 0.795 . . . . 1.92 109.232 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.544 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 86.1 m -61.52 -56.18 22.81 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.974 -1.012 . . . . 0.43 110.546 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.85 90.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.61 0.243 . . . . 0.29 111.342 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.25 82.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.931 0.715 . . . . 0.38 112.931 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 48' ' ' THR . 5.3 ptp180 -69.61 -32.77 71.68 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 119.856 -0.738 . . . . 2.54 109.33 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.59 -33.73 66.93 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.435 -0.802 . . . . 0.4 110.016 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -55.3 -59.72 4.4 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 123.714 0.634 . . . . 0.64 110.034 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.2 m -61.74 -28.23 69.28 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 114.912 -1.04 . . . . 1.33 112.0 -176.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -81.12 -44.95 17.17 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.932 -0.577 . . . . 3.79 111.914 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -101.29 -9.96 20.74 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 114.318 1.229 . . . . 1.17 114.318 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.21 58.03 2.68 Favored Glycine 0 C--O 1.248 0.973 0 C-N-CA 120.521 -0.847 . . . . 0.91 112.155 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.8 p -145.54 134.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 108.537 -0.912 . . . . 1.17 108.537 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.1 m -106.07 118.74 37.41 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 120.82 0.343 . . . . 1.6 110.662 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.669 HD12 HD13 ' A' ' 78' ' ' ILE . 79.7 mt -131.78 124.67 19.94 Favored Pre-proline 0 C--N 1.31 -1.137 0 N-CA-C 108.924 -0.769 . . . . 0.95 108.924 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.579 ' HB2' HG23 ' A' ' 64' ' ' VAL . 38.4 Cg_exo -55.54 135.48 69.47 Favored 'Trans proline' 0 C--O 1.243 0.742 0 C-N-CA 123.142 2.561 . . . . 0.69 112.405 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -55.44 -38.65 69.28 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 123.839 0.855 . . . . 2.19 112.01 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -65.47 -21.32 66.63 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.728 0.299 . . . . 2.48 111.687 -176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 61' ' ' PRO . 61.3 t -71.31 -35.05 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.342 0.591 . . . . 0.56 109.877 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.13 -7.85 54.07 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.956 -0.565 . . . . 0.51 111.275 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.54 18.31 55.39 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 111.252 -0.739 . . . . 0.97 111.252 177.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -114.53 -0.96 13.53 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.477 0.656 . . . . 3.52 109.849 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.491 HG21 HD23 ' A' ' 74' ' ' LEU . 26.5 m -95.21 118.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-O 121.629 0.728 . . . . 0.5 111.514 -174.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -85.91 -35.66 20.38 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.99 -1.004 . . . . 1.88 108.777 -177.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -121.5 148.22 49.61 Favored Pre-proline 0 CA--C 1.552 1.04 0 CA-C-N 115.038 -0.983 . . . . 0.43 110.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.28 -24.53 77.63 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.966 3.111 . . . . 0.34 113.351 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.502 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 41.9 ttm180 -59.03 -36.62 75.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.184 0.516 . . . . 2.05 110.133 177.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 33.8 mt-10 -72.89 -40.98 65.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.313 -0.858 . . . . 2.23 109.911 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.491 HD23 HG21 ' A' ' 68' ' ' VAL . 3.0 tm? -63.74 -41.18 98.08 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.991 -0.744 . . . . 1.17 108.991 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.603 ' HB2' HD22 ' A' ' 10' ' ' LEU . 58.5 tp -60.35 -44.31 95.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.293 -0.867 . . . . 0.6 109.626 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.7 -29.78 69.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.057 -0.974 . . . . 0.89 111.834 -177.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 85.9 mt -62.83 -50.26 71.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.98 0.419 . . . . 1.06 110.209 177.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.669 HD13 HD12 ' A' ' 60' ' ' ILE . 49.4 mm -68.75 -63.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.462 -0.79 . . . . 0.62 109.806 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.66 -33.77 74.54 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.603 -0.726 . . . . 1.45 111.945 -175.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.04 -37.96 92.28 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.484 -0.389 . . . . 0.48 112.254 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.57 -35.24 65.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.175 0.512 . . . . 0.56 109.684 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.22 -31.73 71.45 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 115.892 -0.594 . . . . 0.72 110.767 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.23 -16.86 62.87 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.816 0.446 . . . . 0.93 111.768 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -85.6 -1.92 57.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.287 -0.415 . . . . 2.7 110.778 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.64 102.14 13.91 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.316 0.579 . . . . 2.73 110.525 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.471 ' HA ' ' N ' ' A' ' 1' ' ' MET . . . . . . . . 0 N--CA 1.425 -1.724 0 N-CA-C 108.493 -0.928 . . . . 5.02 108.493 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . 0.768 H281 ' H36' ' A' ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 C--O 1.241 0.649 0 CA-C-O 120.598 0.237 . . . . 5.31 110.904 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.29 140.47 43.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.831 0.348 . . . . 1.46 110.622 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t -87.7 107.66 18.73 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 121.387 0.613 . . . . 1.7 109.836 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.29 121.52 23.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.978 -0.379 . . . . 1.02 109.978 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.643 HD23 ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -69.47 150.41 47.23 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 112.938 0.718 . . . . 1.37 112.938 178.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.5 p -106.05 -170.44 1.73 Allowed 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.603 -0.726 . . . . 0.88 111.88 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.5 m -66.77 -37.53 84.79 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.18 -0.674 . . . . 0.7 109.18 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 20.7 m-20 -54.92 -50.16 69.5 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 115.825 -0.625 . . . . 2.29 110.245 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.24 -47.39 70.92 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.024 -0.989 . . . . 1.83 110.488 -177.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.623 HD22 ' HB2' ' A' ' 75' ' ' LEU . 54.5 tp -56.0 -44.09 78.3 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.754 0.658 . . . . 0.75 110.733 178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ttp-105 -59.61 -55.32 35.98 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.803 -0.635 . . . . 2.88 110.559 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 65.3 mtt180 -59.8 -40.36 88.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.773 -0.649 . . . . 3.46 110.347 -178.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . -67.53 -42.66 82.38 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.62 0.575 . . . . 0.63 112.296 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 tp -69.52 -40.9 76.64 Favored 'General case' 0 C--N 1.309 -1.164 0 O-C-N 121.958 -0.464 . . . . 0.62 110.838 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.2 t -70.29 -17.4 20.76 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 CA-C-O 121.995 0.903 . . . . 0.74 109.769 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 33.0 tt0 -79.61 -31.56 41.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.032 -0.985 . . . . 2.04 109.101 177.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.586 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 43.8 m -64.87 -37.8 88.83 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.313 0.578 . . . . 1.3 109.807 176.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' HB1' ' HG3' ' A' ' 20' ' ' GLU . . . -73.66 -37.55 65.26 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.341 -0.845 . . . . 1.93 109.052 175.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.36 16.69 73.26 Favored Glycine 0 N--CA 1.439 -1.159 0 CA-C-N 115.119 -0.946 . . . . 2.29 110.991 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HG3' ' HB1' ' A' ' 18' ' ' ALA . 44.8 mt-10 -81.33 -40.32 23.77 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-O 121.618 0.723 . . . . 5.38 110.055 -178.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 p 46.08 70.12 0.41 Allowed 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 113.696 -1.593 . . . . 6.11 113.062 -177.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -148.03 -48.99 0.16 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.2 -0.909 . . . . 5.17 108.792 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.45 -43.55 0.21 Allowed Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 120.196 -1.002 . . . . 3.06 112.267 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.8 m 60.2 28.58 18.17 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-O 122.193 0.997 . . . . 2.78 110.392 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.0 t70 62.41 21.21 12.42 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.881 1.273 . . . . 2.9 111.127 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.0 mt -105.37 15.9 26.48 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 115.018 -0.992 . . . . 1.38 109.835 -178.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.4 m -87.18 7.21 29.24 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 114.067 1.136 . . . . 1.8 114.067 -171.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.04 56.37 0.55 Allowed Glycine 0 C--N 1.309 -0.97 0 N-CA-C 111.249 -0.74 . . . . 1.82 111.249 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 t70 67.99 138.17 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 125.706 1.603 . . . . 2.57 110.388 -174.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -147.98 18.48 1.12 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 116.317 -0.401 . . . . 0.73 110.3 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.597 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 6.5 mp -66.9 -28.4 68.28 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 114.387 1.254 . . . . 1.26 114.387 -173.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.4 11.89 18.62 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.838 0.827 . . . . 2.24 109.643 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.7 tp -90.09 102.56 15.28 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 106.569 -1.641 . . . . 1.73 106.569 176.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -57.38 150.61 17.97 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 113.302 0.853 . . . . 3.1 113.302 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.555 ' HA ' HG12 ' A' ' 38' ' ' ILE . 77.9 m-85 -71.2 -37.44 72.09 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.822 -1.081 . . . . 0.43 109.732 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.56 -31.94 73.38 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.604 -0.887 . . . . 2.48 108.604 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -81.6 -10.52 59.41 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.83 -1.077 . . . . 2.01 110.772 -176.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.555 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.8 pt -118.91 18.36 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 116.31 -0.404 . . . . 0.65 110.646 175.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.1 42.13 99.69 Favored Glycine 0 CA--C 1.525 0.68 0 CA-C-N 115.455 -0.793 . . . . 0.55 114.62 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.87 147.35 28.82 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 117.134 0.467 . . . . 1.1 110.459 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' HA ' H302 ' A' ' 87' ' ' PNS . 8.3 m-20 -96.25 148.67 22.5 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.87 -0.789 . . . . 1.89 108.87 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.491 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 48.1 m -65.12 -24.48 67.43 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.871 0.367 . . . . 0.88 111.799 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.34 -32.09 72.79 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.064 0.459 . . . . 1.7 109.829 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.29 -24.57 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.653 -0.703 . . . . 0.46 110.111 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 50.4 mt -70.82 -37.73 73.23 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.859 -0.793 . . . . 0.31 108.859 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.429 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 62.0 mtt -61.78 -44.76 96.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.634 -1.166 . . . . 1.7 108.786 176.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.0 -38.81 87.36 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.316 -0.856 . . . . 1.92 111.114 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.598 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 91.8 m -63.83 -54.56 33.16 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.744 -0.662 . . . . 0.43 110.708 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.45 78.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.65 0.262 . . . . 0.29 110.863 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.435 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . . . -60.57 -38.69 85.4 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.642 0.608 . . . . 0.38 112.642 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.9 ptp180 -71.17 -24.02 62.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.598 0.713 . . . . 2.54 109.953 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -83.93 -26.51 29.26 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.529 -0.759 . . . . 0.4 111.346 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.435 ' HG3' ' HA ' ' A' ' 50' ' ' ALA . 47.4 mt-10 -53.9 -62.25 1.78 Allowed 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 123.467 0.479 . . . . 0.64 111.208 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.9 m -74.43 -23.41 58.92 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.878 -0.601 . . . . 1.33 111.46 -174.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -69.91 -36.85 75.69 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.876 -0.602 . . . . 3.79 110.333 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.655 ' HB3' HD21 ' A' ' 82' ' ' LEU . 92.4 m-85 -108.21 4.01 24.28 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.995 0.739 . . . . 1.17 112.995 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.81 22.79 71.17 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 116.258 -0.428 . . . . 0.91 113.607 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.1 m -115.46 176.52 2.27 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 C-N-CA 122.391 0.276 . . . . 1.17 110.943 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -143.59 133.31 23.78 Favored 'General case' 0 N--CA 1.426 -1.632 0 N-CA-C 109.232 -0.655 . . . . 1.6 109.232 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.659 HD12 HD13 ' A' ' 78' ' ' ILE . 59.5 mt -134.13 121.42 15.6 Favored Pre-proline 0 C--N 1.316 -0.887 0 CA-C-N 115.879 -0.601 . . . . 0.95 109.552 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 52.3 Cg_exo -58.1 153.04 47.93 Favored 'Trans proline' 0 CA--C 1.547 1.136 0 C-N-CA 123.467 2.778 . . . . 0.69 113.604 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.85 -47.9 79.3 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.314 1.045 . . . . 2.19 112.947 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 15.5 m-20 -67.02 -17.25 64.83 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 111.927 0.343 . . . . 2.48 111.927 -175.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.412 HG12 HD13 ' A' ' 77' ' ' LEU . 61.4 t -78.97 -52.32 15.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 108.401 -0.963 . . . . 0.56 108.401 178.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 46' ' ' MET . . . -61.0 -30.78 70.49 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.364 -0.835 . . . . 0.51 111.859 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.49 5.65 82.49 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.261 -0.971 . . . . 0.97 112.892 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 37.2 ttt180 -98.29 0.63 45.97 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.443 0.64 . . . . 3.52 110.506 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.539 HG21 HD23 ' A' ' 74' ' ' LEU . 31.2 m -94.38 120.67 44.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-O 121.692 0.758 . . . . 0.5 112.331 -177.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -77.94 -41.42 36.4 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.009 -0.996 . . . . 1.88 110.38 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -119.95 146.38 41.93 Favored Pre-proline 0 N--CA 1.435 -1.187 0 CA-C-N 115.991 -0.549 . . . . 0.43 111.352 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -59.73 -21.74 64.62 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.983 3.122 . . . . 0.34 113.879 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.597 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 40.5 ttm180 -61.75 -32.67 72.94 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.55 -0.537 . . . . 2.05 109.55 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 59.2 mm-40 -82.06 -33.24 30.0 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.78 -0.646 . . . . 2.23 110.894 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.545 HD12 HD11 ' A' ' 10' ' ' LEU . 2.9 tm? -65.46 -39.44 92.0 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 108.33 -0.989 . . . . 1.17 108.33 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.623 ' HB2' HD22 ' A' ' 10' ' ' LEU . 48.7 tp -59.38 -48.59 81.07 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 115.234 -0.894 . . . . 0.6 108.735 175.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.26 -32.72 74.19 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 114.164 -1.38 . . . . 0.89 112.602 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 81.8 mt -58.61 -47.39 84.5 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 120.952 0.406 . . . . 1.06 110.452 177.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.659 HD13 HD12 ' A' ' 60' ' ' ILE . 41.2 mm -70.73 -50.87 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 108.935 -0.765 . . . . 0.62 108.935 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 12.3 m120 -52.41 -46.23 66.22 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.475 0.484 . . . . 1.45 111.261 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.547 ' O ' ' HG3' ' A' ' 84' ' ' GLU . . . -61.5 -47.35 91.17 Favored Glycine 0 N--CA 1.439 -1.142 0 O-C-N 123.604 0.565 . . . . 0.48 112.338 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.4 94.59 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.44 0.638 . . . . 0.56 110.536 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 56' ' ' TYR . 93.0 mt -68.4 -37.1 80.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.305 -0.862 . . . . 0.72 110.47 178.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.6 -32.4 73.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.231 0.539 . . . . 0.93 110.409 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 41.3 mt-10 -76.41 -12.34 60.04 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.919 -0.582 . . . . 2.7 110.856 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.55 -7.92 30.24 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.463 -0.569 . . . . 2.73 109.463 176.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 C-N-CA 125.588 1.555 . . . . 5.02 112.523 179.061 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . 0.458 H302 ' HA ' ' A' ' 41' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 C--O 1.239 0.523 0 CA-C-O 121.094 0.473 . . . . 5.31 109.734 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.467 ' HB1' HD22 ' A' ' 82' ' ' LEU . . . -84.31 177.06 8.32 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 121.326 0.584 . . . . 1.46 111.562 -176.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 t -114.38 107.69 15.89 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 115.71 -0.677 . . . . 1.7 109.541 -178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.83 140.45 49.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.309 -0.626 . . . . 1.02 109.309 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -83.99 157.26 21.92 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 116.388 -0.369 . . . . 1.37 111.172 176.303 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.7 p -94.05 -170.84 2.4 Favored 'General case' 0 N--CA 1.428 -1.574 0 O-C-N 123.549 0.531 . . . . 0.88 111.45 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -73.99 -43.61 57.45 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 108.477 -0.934 . . . . 0.7 108.477 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 31.8 t70 -62.04 -33.62 74.72 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.92 -0.582 . . . . 2.29 110.792 178.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 33.3 t70 -72.22 -42.76 65.36 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.428 -0.509 . . . . 1.83 110.216 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 75' ' ' LEU . 51.1 tp -56.96 -46.32 82.24 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.945 -0.761 . . . . 0.75 108.945 174.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 61.8 ttt180 -52.96 -51.73 60.48 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.622 -1.172 . . . . 2.88 110.984 176.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 66.9 mtp180 -57.0 -43.96 82.29 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.419 0.628 . . . . 3.46 111.413 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 52' ' ' LEU . . . -71.63 -25.8 62.3 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.443 -0.799 . . . . 0.63 111.442 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.551 ' HG ' ' OH ' ' A' ' 40' ' ' TYR . 15.1 tp -81.71 -48.64 11.42 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.508 -0.553 . . . . 0.62 109.508 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 26' ' ' LEU . 70.8 t -60.68 -17.77 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.525 0.73 . . . . 0.74 112.347 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.79 -28.14 67.35 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.866 -0.522 . . . . 2.04 109.785 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.0 p -90.27 -49.96 6.25 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 112.1 0.408 . . . . 1.3 112.1 175.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . . . -120.58 95.77 4.86 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-O 122.286 1.041 . . . . 1.93 110.59 178.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.67 42.48 0.71 Allowed Glycine 0 C--N 1.282 -2.419 0 N-CA-C 106.467 -2.653 . . . . 2.29 106.467 175.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -102.14 -145.94 0.36 Allowed 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 113.689 -1.256 . . . . 5.38 107.706 -173.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.4 m -79.35 71.13 5.88 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-O 122.748 1.261 . . . . 6.11 109.003 176.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -147.95 -64.74 0.26 Allowed 'General case' 0 C--N 1.265 -3.069 0 CA-C-N 112.97 -1.923 . . . . 5.17 107.07 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.4 46.75 57.68 Favored Glycine 0 CA--C 1.494 -1.279 0 C-N-CA 123.938 0.78 . . . . 3.06 112.893 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.2 t -66.34 153.87 41.53 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 108.242 -1.022 . . . . 2.78 108.242 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -76.43 94.87 3.72 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 122.194 0.997 . . . . 2.9 108.91 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.484 HD23 HG22 ' A' ' 15' ' ' VAL . 18.0 tp -107.05 32.97 4.22 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 113.537 -1.665 . . . . 1.38 108.123 -172.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 m -116.33 168.42 10.15 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.465 -1.243 . . . . 1.8 108.377 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.36 -124.68 8.32 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.023 -0.608 . . . . 1.82 113.045 177.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -105.71 101.91 11.4 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 107.371 -1.344 . . . . 2.57 107.371 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.45 ' HB2' HD12 ' A' ' 33' ' ' LEU . 51.7 p90 -133.48 7.51 3.87 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.893 0.701 . . . . 0.73 112.893 -171.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.632 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 5.8 mp -67.81 -12.96 61.69 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 113.755 1.02 . . . . 1.26 113.755 -176.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -101.92 -1.31 32.28 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 111.527 0.195 . . . . 2.24 111.527 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.49 ' O ' ' HD3' ' A' ' 71' ' ' PRO . 94.5 mt -77.0 115.76 17.07 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 109.377 -0.601 . . . . 1.73 109.377 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -66.48 145.21 55.9 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 120.971 0.415 . . . . 3.1 110.661 -178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.682 ' HB3' ' HB2' ' A' ' 40' ' ' TYR . 48.2 m-85 -63.74 -24.22 67.68 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.655 -0.702 . . . . 0.43 111.438 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.54 -44.6 96.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.127 -0.488 . . . . 2.48 110.255 174.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.22 -42.67 71.99 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 116.037 -0.529 . . . . 2.01 110.053 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.489 HG13 ' HD1' ' A' ' 40' ' ' TYR . 30.9 pt -86.85 14.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 113.555 0.946 . . . . 0.65 113.555 -176.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.13 50.35 63.94 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 115.14 0.816 . . . . 0.55 115.14 173.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.682 ' HB2' ' HB3' ' A' ' 35' ' ' PHE . 13.4 m-85 -106.36 157.53 17.54 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 113.096 0.776 . . . . 1.1 113.096 178.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.472 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 9.9 t0 -115.65 159.68 21.02 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 105.754 -1.943 . . . . 1.89 105.754 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.523 ' O ' ' HG3' ' A' ' 46' ' ' MET . 19.4 m -67.68 -39.9 84.44 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 108.905 -0.776 . . . . 0.88 108.905 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.42 -31.63 71.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.005 -0.543 . . . . 1.7 109.638 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.08 -35.0 76.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.46 109.64 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.672 ' HB2' ' HA2' ' A' ' 66' ' ' GLY . 93.6 mt -71.65 -38.68 70.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.991 -0.549 . . . . 0.31 110.057 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 63.7 mtt -62.98 -43.24 99.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.396 -0.82 . . . . 1.7 109.239 176.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.9 -43.7 91.08 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.771 -0.649 . . . . 1.92 109.523 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.5 m -57.71 -51.89 67.69 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.313 -0.858 . . . . 0.43 110.748 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -65.23 -41.22 94.6 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.754 -0.203 . . . . 0.29 111.451 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -57.23 -41.4 79.46 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.599 0.592 . . . . 0.38 112.599 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -72.34 -23.88 61.21 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.966 -0.459 . . . . 2.54 111.886 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 13' ' ' ALA . 94.2 mt -82.86 -39.65 21.32 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 116.061 -0.518 . . . . 0.4 110.75 178.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.434 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 49.3 mt-10 -51.71 -49.76 61.83 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 122.796 0.439 . . . . 0.64 110.2 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.8 t -57.39 -43.64 83.85 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.536 -1.211 . . . . 1.33 112.239 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -77.17 -37.83 52.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.304 0.573 . . . . 3.79 111.305 -175.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.593 ' HB3' HD21 ' A' ' 82' ' ' LEU . 99.6 m-85 -95.1 -9.13 34.52 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 113.934 1.087 . . . . 1.17 113.934 -173.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.73 38.75 23.07 Favored Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 121.166 -0.54 . . . . 0.91 112.783 175.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 34.3 m -115.87 175.63 2.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-O 120.845 0.355 . . . . 1.17 111.41 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -139.95 112.68 7.99 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 108.983 -0.747 . . . . 1.6 108.983 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.9 mt -127.44 122.86 22.95 Favored Pre-proline 0 C--N 1.307 -1.24 0 N-CA-C 108.506 -0.924 . . . . 0.95 108.506 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.417 ' HB2' HG23 ' A' ' 64' ' ' VAL . 36.4 Cg_exo -58.53 132.76 50.24 Favored 'Trans proline' 0 C--O 1.251 1.127 0 C-N-CA 122.715 2.277 . . . . 0.69 112.717 -179.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' A' ' 46' ' ' MET . 9.5 m-20 -49.8 -50.5 44.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.532 1.133 . . . . 2.19 110.933 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.39 -30.71 63.07 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.745 0.818 . . . . 2.48 111.759 -175.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 61' ' ' PRO . 86.3 t -79.77 -51.68 15.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 C-N-CA 123.764 0.826 . . . . 0.56 109.592 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -54.16 -36.4 63.32 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 123.933 0.893 . . . . 0.51 112.382 -177.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.672 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -85.84 -8.83 78.94 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.218 -0.991 . . . . 0.97 113.463 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -100.13 14.54 30.41 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.949 0.88 . . . . 3.52 110.941 -174.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 65' ' ' ALA . 18.1 m -81.43 161.17 3.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.155 -0.683 . . . . 0.5 109.155 173.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -117.25 -36.5 3.75 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.318 0.58 . . . . 1.88 111.341 -175.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 28.5 p -122.37 147.05 48.82 Favored Pre-proline 0 C--N 1.302 -1.487 0 CA-C-N 115.79 -0.641 . . . . 0.43 110.467 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 74.6 Cg_exo -53.89 -29.27 52.7 Favored 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 124.164 3.242 . . . . 0.34 113.844 -176.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.632 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 5.5 ptp180 -60.05 -35.24 74.71 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 120.694 0.283 . . . . 2.05 111.13 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.569 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 36.0 mt-10 -72.69 -36.32 67.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.091 -0.504 . . . . 2.23 110.818 -176.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.43 HD22 HD12 ' A' ' 77' ' ' LEU . 2.4 tm? -73.27 -39.0 65.74 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.077 -1.083 . . . . 1.17 108.077 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.681 ' HB2' HD22 ' A' ' 10' ' ' LEU . 46.3 tp -60.76 -47.05 88.05 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.554 -0.906 . . . . 0.6 108.554 175.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.01 -34.91 77.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.315 -1.312 . . . . 0.89 112.232 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 69.5 mt -60.12 -38.31 82.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.998 0.428 . . . . 1.06 110.553 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.2 mm -77.46 -56.92 6.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.945 -0.761 . . . . 0.62 108.945 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.422 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 14.0 m120 -51.86 -48.91 63.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.376 0.671 . . . . 1.45 111.886 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.88 -41.21 99.62 Favored Glycine 0 CA--C 1.506 -0.498 0 O-C-N 123.443 0.464 . . . . 0.48 112.828 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.44 -47.63 81.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.23 0.538 . . . . 0.56 110.039 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.593 HD21 ' HB3' ' A' ' 56' ' ' TYR . 90.7 mt -66.7 -34.93 78.94 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.39 -0.823 . . . . 0.72 111.739 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.46 -17.72 60.06 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.408 0.623 . . . . 0.93 110.775 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -81.38 -58.92 2.82 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.389 -1.337 . . . . 2.7 107.389 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -168.26 -64.79 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 107.392 -1.336 . . . . 2.73 107.392 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.868 0 C-N-CA 127.033 2.133 . . . . 5.02 106.003 178.178 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . 0.437 H282 ' N36' ' A' ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 108.455 -0.943 . . . . 5.31 108.455 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.83 161.75 38.49 Favored 'General case' 0 C--O 1.242 0.688 0 O-C-N 121.426 -0.797 . . . . 1.46 111.876 -176.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.6 m -107.62 106.08 16.25 Favored 'General case' 0 N--CA 1.425 -1.716 0 N-CA-C 108.403 -0.962 . . . . 1.7 108.403 178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' A' ' 79' ' ' ASN . 72.1 mt -73.07 125.13 26.95 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 120.967 0.413 . . . . 1.02 110.403 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.599 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 3.3 pp -79.27 149.03 31.94 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 116.144 -0.48 . . . . 1.37 109.745 174.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.4 p -96.15 -170.62 2.14 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 116.263 -0.426 . . . . 0.88 110.395 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -65.46 -44.63 86.61 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.414 -0.587 . . . . 0.7 109.414 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.75 -41.05 99.03 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.858 -0.61 . . . . 2.29 111.247 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.599 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 55.4 m-20 -63.55 -42.78 98.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 110.066 -0.346 . . . . 1.83 110.066 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 75' ' ' LEU . 48.5 tp -60.46 -44.52 95.78 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 123.71 0.631 . . . . 0.75 110.948 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.5 ttm105 -55.45 -52.82 62.37 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.214 0.53 . . . . 2.88 110.316 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -63.78 -39.89 95.35 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.227 -0.897 . . . . 3.46 110.712 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.04 -31.51 71.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.639 -0.71 . . . . 0.63 111.481 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.462 HD23 HD21 ' A' ' 26' ' ' LEU . 41.8 tp -78.78 -52.51 8.26 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 122.215 -0.303 . . . . 0.62 110.813 -179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.9 t -61.17 -23.23 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 116.063 -0.517 . . . . 0.74 111.649 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -60.24 -28.08 67.74 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 122.981 0.512 . . . . 2.04 111.201 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 51' ' ' ARG . 44.6 t -85.59 -29.69 23.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.218 0.532 . . . . 1.3 110.447 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.584 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . . . -78.16 -51.05 10.82 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.16 -0.473 . . . . 1.93 110.889 -176.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.9 -109.49 2.81 Favored Glycine 0 N--CA 1.433 -1.566 0 N-CA-C 109.654 -1.378 . . . . 2.29 109.654 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -106.06 -29.2 10.05 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.811 0.815 . . . . 5.38 110.076 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.5 p -77.39 100.04 5.81 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-N 114.385 -1.28 . . . . 6.11 108.815 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 75.71 18.0 2.24 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 124.45 1.1 . . . . 5.17 109.365 -177.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.48 73.22 1.4 Allowed Glycine 0 CA--C 1.501 -0.828 0 CA-C-N 114.494 -1.23 . . . . 3.06 111.121 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.1 m -63.46 146.36 53.77 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 125.483 1.513 . . . . 2.78 109.912 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -50.81 -61.08 2.43 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 109.146 -0.687 . . . . 2.9 109.146 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.462 HD21 HD23 ' A' ' 14' ' ' LEU . 12.4 tp 63.54 15.96 9.25 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.369 1.068 . . . . 1.38 112.063 168.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.6 t -88.12 1.67 53.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.634 0.73 . . . . 1.8 111.924 -173.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.2 -145.8 14.95 Favored Glycine 0 C--N 1.294 -1.764 0 C-N-CA 120.394 -0.908 . . . . 1.82 111.7 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.78 90.93 5.86 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 108.177 -1.046 . . . . 2.57 108.177 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -103.69 8.58 37.38 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 115.838 -0.619 . . . . 0.73 112.174 -175.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.605 ' O ' ' HB ' ' A' ' 70' ' ' THR . 2.8 mm? -77.97 -24.39 48.09 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 120.618 -0.433 . . . . 1.26 109.961 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -101.03 -12.29 18.98 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-O 121.765 0.793 . . . . 2.24 109.785 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.8 tp -80.45 115.58 20.06 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 106.901 -1.518 . . . . 1.73 106.901 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.445 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 58.0 mtm180 -83.74 163.24 20.33 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.297 0.57 . . . . 3.1 110.826 -171.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' HA ' HG12 ' A' ' 38' ' ' ILE . 73.6 m-85 -70.18 -32.22 70.05 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.169 -0.923 . . . . 0.43 110.639 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -37.53 81.38 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.29 -1.004 . . . . 2.48 108.29 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.445 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 38.0 m-20 -71.96 -30.43 65.29 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.692 -0.686 . . . . 2.01 110.536 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.514 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -104.6 20.84 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 113.552 0.945 . . . . 0.65 113.552 -176.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.31 31.67 81.52 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 114.307 0.483 . . . . 0.55 114.307 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.584 ' OH ' ' HB2' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -102.55 122.91 45.31 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 122.452 -0.44 . . . . 1.1 111.014 -179.576 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.96 157.17 25.64 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.764 -0.653 . . . . 1.89 111.127 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 m -60.89 -34.33 74.49 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 123.651 0.78 . . . . 0.88 110.502 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.93 -34.53 78.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.837 -0.619 . . . . 1.7 110.479 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.85 -29.98 67.35 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.836 -0.62 . . . . 0.46 109.663 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -72.03 -43.43 65.0 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.039 -0.528 . . . . 0.31 110.105 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.612 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 65.2 mtt -61.68 -45.0 95.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.684 -0.689 . . . . 1.7 109.713 177.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.18 -43.19 96.04 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.334 -0.848 . . . . 1.92 109.306 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.494 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 40.7 m -61.09 -51.86 67.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 0.43 111.124 177.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -62.23 -32.14 72.78 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 121.122 -0.231 . . . . 0.29 111.143 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.69 94.26 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.213 0.53 . . . . 0.38 110.292 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 17' ' ' SER . 30.9 ttp-105 -60.89 -33.62 73.39 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.554 0.742 . . . . 2.54 110.254 176.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 48' ' ' THR . 86.6 mt -75.88 -38.02 58.27 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.488 -0.778 . . . . 0.4 111.122 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 48.3 mt-10 -56.11 -55.81 28.42 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.613 0.72 . . . . 0.64 110.338 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.7 p -66.11 -45.79 79.86 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 114.395 -1.275 . . . . 1.33 112.753 -174.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.83 -39.18 64.23 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 112.923 0.712 . . . . 3.79 112.923 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -96.17 -2.19 46.84 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.663 0.616 . . . . 1.17 112.663 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.74 63.71 3.23 Favored Glycine 0 C--N 1.317 -0.52 0 C-N-CA 121.225 -0.512 . . . . 0.91 112.452 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.482 HG23 ' HB2' ' A' ' 85' ' ' ALA . 11.8 p -153.09 175.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.435 -1.32 . . . . 1.17 107.435 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -140.94 136.14 31.92 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 108.267 -1.012 . . . . 1.6 108.267 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.401 ' CD1' HD13 ' A' ' 78' ' ' ILE . 72.3 mt -136.55 130.88 18.14 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 108.734 -0.839 . . . . 0.95 108.734 -177.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.477 ' HB2' HG23 ' A' ' 64' ' ' VAL . 68.6 Cg_exo -53.77 125.5 18.84 Favored 'Trans proline' 0 C--O 1.246 0.907 0 C-N-CA 122.77 2.313 . . . . 0.69 111.768 177.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.612 ' O ' ' HG2' ' A' ' 46' ' ' MET . 5.0 p-10 -63.53 -35.95 82.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.19 -0.914 . . . . 2.19 112.604 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.05 -25.37 65.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.72 0.771 . . . . 2.48 110.628 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 61' ' ' PRO . 94.2 t -72.61 -44.45 60.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 CA-C-N 114.751 -1.113 . . . . 0.56 109.031 177.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.407 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -57.88 -41.33 82.31 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 115.541 -0.754 . . . . 0.51 109.196 176.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.45 53.98 4.62 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.04 -0.824 . . . . 0.97 111.04 175.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -153.28 -36.8 0.1 Allowed 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 123.382 0.673 . . . . 3.52 109.707 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 73' ' ' GLU . 34.8 m -58.54 111.5 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-O 121.642 0.734 . . . . 0.5 111.79 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -73.32 -43.24 61.2 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-O 121.437 0.636 . . . . 1.88 110.174 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.605 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 36.5 p -109.57 145.63 32.34 Favored Pre-proline 0 N--CA 1.418 -2.057 0 CA-C-N 115.098 -0.955 . . . . 0.43 110.871 -177.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.82 -17.54 55.79 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.623 2.882 . . . . 0.34 112.447 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.511 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 20.3 ttm180 -62.87 -37.01 85.17 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.951 -1.129 . . . . 2.05 107.951 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.538 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 33.7 mt-10 -72.46 -36.56 68.52 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.876 -1.056 . . . . 2.23 110.324 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.89 -41.72 77.89 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.198 -1.038 . . . . 1.17 108.198 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' HB2' HD22 ' A' ' 10' ' ' LEU . 49.1 tp -60.26 -44.91 94.89 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.932 -0.766 . . . . 0.6 108.932 176.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.11 -39.78 83.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.596 -1.183 . . . . 0.89 111.587 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 81.5 mt -57.58 -51.35 69.84 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 109.912 -0.403 . . . . 1.06 109.912 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.565 HG21 ' HG ' ' A' ' 5' ' ' LEU . 42.6 mm -61.76 -59.41 4.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.859 -0.61 . . . . 0.62 110.807 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.56 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.6 m120 -56.5 -44.01 80.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.696 0.284 . . . . 1.45 111.234 -176.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.92 80.68 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 116.165 -0.47 . . . . 0.48 112.735 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.24 -36.67 79.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.809 0.304 . . . . 0.56 111.302 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.9 -19.56 65.18 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 112.247 0.462 . . . . 0.72 112.247 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.84 -22.62 59.7 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.067 0.461 . . . . 0.93 110.191 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -101.38 -21.55 14.8 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.527 0.679 . . . . 2.7 109.239 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.482 ' HB2' HG23 ' A' ' 58' ' ' VAL . . . -54.44 123.64 13.61 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-N 114.682 -1.144 . . . . 2.73 112.284 -178.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -1.989 0 N-CA-C 105.608 -1.997 . . . . 5.02 105.608 178.491 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 109.507 -0.553 . . . . 5.31 109.507 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.26 127.54 36.74 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 112.283 0.475 . . . . 1.46 112.283 -175.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t -91.54 106.14 18.27 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 106.554 -1.647 . . . . 1.7 106.554 173.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 79' ' ' ASN . 77.9 mt -93.36 132.44 37.58 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.775 -0.578 . . . . 1.02 111.028 -175.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 2.5 pt? -70.79 151.51 44.75 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-N 115.443 -0.799 . . . . 1.37 109.109 175.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.4 p -91.08 -170.69 2.74 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 116.442 -0.345 . . . . 0.88 110.156 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.2 m -67.06 -42.37 84.88 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 109.332 -0.618 . . . . 0.7 109.332 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.9 m-20 -67.32 -29.1 68.58 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.814 -0.63 . . . . 2.29 112.332 -177.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 21.3 m-20 -65.68 -41.58 92.27 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 120.785 -0.366 . . . . 1.83 110.293 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.747 HD22 ' HB2' ' A' ' 75' ' ' LEU . 52.6 tp -67.84 -44.55 76.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.87 -0.789 . . . . 0.75 108.87 176.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 73.9 ttt180 -49.68 -56.41 10.24 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.955 1.302 . . . . 2.88 111.698 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 41.0 mtt180 -60.6 -45.83 92.52 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.666 -0.494 . . . . 3.46 109.666 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.12 93.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.886 . . . . 0.63 112.986 -175.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.3 tp -71.11 -47.62 57.02 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 116.246 -0.434 . . . . 0.62 110.708 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.28 -31.72 55.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.452 0.644 . . . . 0.74 109.982 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -64.07 -25.52 68.14 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.353 -0.839 . . . . 2.04 110.244 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -73.68 -15.46 61.24 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.149 -0.478 . . . . 1.3 111.996 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.18 4.55 42.06 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.871 -0.789 . . . . 1.93 108.871 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.12 -110.69 4.02 Favored Glycine 0 N--CA 1.428 -1.851 0 N-CA-C 107.963 -2.055 . . . . 2.29 107.963 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -140.52 5.26 2.01 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 122.423 1.106 . . . . 5.38 108.163 172.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 p -94.39 72.53 3.82 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 115.212 -0.904 . . . . 6.11 112.99 -174.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.7 t70 63.31 108.43 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 125.412 1.485 . . . . 5.17 114.995 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.53 33.8 4.95 Favored Glycine 0 C--N 1.294 -1.804 0 N-CA-C 106.391 -2.684 . . . . 3.06 106.391 171.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 m 71.54 159.56 0.21 Allowed 'General case' 0 C--O 1.251 1.151 0 C-N-CA 125.427 1.491 . . . . 2.78 109.476 -173.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -77.21 91.81 3.78 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 106.886 -1.524 . . . . 2.9 106.886 172.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -99.15 82.45 2.72 Favored 'General case' 0 N--CA 1.398 -3.026 0 CA-C-N 113.907 -1.497 . . . . 1.38 108.075 -169.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.9 t -140.82 139.62 34.54 Favored 'General case' 0 C--N 1.287 -2.13 0 CA-C-N 115.92 -0.582 . . . . 1.8 110.217 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.02 -143.26 16.65 Favored Glycine 0 N--CA 1.428 -1.873 0 CA-C-N 115.634 -0.712 . . . . 1.82 111.789 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -87.6 74.91 9.15 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 122.687 1.232 . . . . 2.57 110.627 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -97.91 5.36 49.04 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 114.245 -1.343 . . . . 0.73 110.763 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.734 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.4 mm? -77.28 -22.11 52.58 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.136 -0.484 . . . . 1.26 110.55 -175.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.76 -22.47 29.61 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.627 0.579 . . . . 2.24 109.839 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.41 145.25 45.97 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 115.195 -0.911 . . . . 1.73 109.227 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -89.36 146.51 24.64 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 120.116 -0.634 . . . . 3.1 110.194 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 43.6 m-85 -62.42 -30.57 71.32 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.961 0.41 . . . . 0.43 110.627 177.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.34 -37.97 87.67 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.26 -0.882 . . . . 2.48 109.191 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -74.62 -24.15 58.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.386 -0.825 . . . . 2.01 111.355 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.413 HG12 ' HA ' ' A' ' 35' ' ' PHE . 33.5 pt -103.46 18.05 4.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.104 0.478 . . . . 0.65 111.891 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.75 22.54 70.13 Favored Glycine 0 CA--C 1.525 0.675 0 CA-C-N 115.785 -0.643 . . . . 0.55 114.658 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -89.72 145.31 25.3 Favored 'General case' 0 N--CA 1.428 -1.565 0 O-C-N 122.275 -0.544 . . . . 1.1 111.521 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.523 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.7 p30 -112.58 162.62 15.46 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.738 -1.119 . . . . 1.89 110.268 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -55.81 -37.44 68.65 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 125.263 1.425 . . . . 0.88 112.295 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.03 -46.51 84.13 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.166 -0.47 . . . . 1.7 109.812 -176.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.11 -30.7 71.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.175 -0.92 . . . . 0.46 111.257 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 58.8 mt -74.06 -43.24 58.51 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.22 -0.445 . . . . 0.31 110.203 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 68.2 mtm -66.42 -39.03 88.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.9 -0.591 . . . . 1.7 109.655 178.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -57.59 -35.26 70.18 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.386 1.074 . . . . 1.92 109.257 176.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.586 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 85.2 m -72.6 -58.74 3.13 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.041 -0.981 . . . . 0.43 110.715 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.88 -43.79 66.39 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 111.978 0.362 . . . . 0.29 111.978 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.6 66.63 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.289 0.848 . . . . 0.38 113.289 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.586 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.6 ptp180 -84.53 -23.43 29.77 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.675 0.75 . . . . 2.54 109.944 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.402 HD13 HG13 ' A' ' 78' ' ' ILE . 97.1 mt -77.54 -33.43 54.16 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.663 -0.698 . . . . 0.4 109.869 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -55.75 -53.4 57.05 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.189 -0.914 . . . . 0.64 111.792 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.4 p -67.33 -27.85 67.48 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.628 -0.715 . . . . 1.33 111.938 -176.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -82.44 -45.51 14.68 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 120.509 -0.476 . . . . 3.79 111.746 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -97.63 4.93 50.03 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 114.592 1.33 . . . . 1.17 114.592 -174.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.18 58.35 8.17 Favored Glycine 0 C--N 1.315 -0.629 0 C-N-CA 120.693 -0.765 . . . . 0.91 112.6 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.97 147.46 21.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 N-CA-C 108.486 -0.931 . . . . 1.17 108.486 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 t -118.59 113.29 21.02 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.891 -0.781 . . . . 1.6 108.891 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.515 HD12 HD13 ' A' ' 78' ' ' ILE . 72.8 mt -130.33 130.21 22.98 Favored Pre-proline 0 C--N 1.303 -1.422 0 N-CA-C 108.337 -0.986 . . . . 0.95 108.337 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -57.31 120.34 8.19 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.959 1.772 . . . . 0.69 110.039 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 46' ' ' MET . 7.8 p-10 -61.4 -23.92 66.14 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 112.179 0.437 . . . . 2.19 112.179 -175.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -57.95 -29.3 65.07 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 120.921 0.391 . . . . 2.48 111.754 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.7 t -68.89 -28.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.274 0.559 . . . . 0.56 110.313 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.92 -9.85 58.97 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-N 115.957 -0.565 . . . . 0.51 110.346 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.41 18.55 57.28 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.698 -0.961 . . . . 0.97 110.698 176.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -131.6 2.22 4.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.383 0.611 . . . . 3.52 109.4 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 m -85.54 126.64 40.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.463 0.649 . . . . 0.5 110.08 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -92.01 -39.38 11.69 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.27 -0.877 . . . . 1.88 110.656 -172.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 36.7 p -119.42 153.06 53.62 Favored Pre-proline 0 C--N 1.309 -1.177 0 CA-C-N 115.459 -0.792 . . . . 0.43 109.575 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.441 ' HG3' ' CE1' ' A' ' 35' ' ' PHE . 46.7 Cg_exo -59.56 -23.33 70.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 123.092 2.528 . . . . 0.34 112.323 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.734 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 42.7 ttm180 -60.63 -41.34 94.68 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 109.777 -0.453 . . . . 2.05 109.777 178.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 45.2 mt-10 -69.26 -38.69 78.53 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 123.341 0.401 . . . . 2.23 110.886 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.7 -42.24 95.44 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.232 -1.025 . . . . 1.17 108.232 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.747 ' HB2' HD22 ' A' ' 10' ' ' LEU . 46.0 tp -66.76 -43.03 85.18 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.455 -0.793 . . . . 0.6 109.579 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.25 -34.33 77.44 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 114.772 -1.104 . . . . 0.89 111.303 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 66.8 mt -57.48 -51.23 70.31 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.937 0.399 . . . . 1.06 110.01 175.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.515 HD13 HD12 ' A' ' 60' ' ' ILE . 31.3 mm -67.71 -57.07 10.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.47 -0.786 . . . . 0.62 109.139 -178.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.401 ' HA ' HD22 ' A' ' 4' ' ' LEU . 11.5 m120 -51.5 -49.24 62.25 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 123.433 0.458 . . . . 1.45 111.768 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.26 -47.35 88.68 Favored Glycine 0 CA--C 1.499 -0.945 0 CA-C-N 115.942 -0.572 . . . . 0.48 113.072 -176.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.19 85.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.965 0.412 . . . . 0.56 110.953 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.69 -47.66 65.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.946 -0.57 . . . . 0.72 110.791 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.17 -29.51 70.35 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.326 0.584 . . . . 0.93 111.091 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.36 -35.66 81.12 Favored 'General case' 0 C--N 1.313 -1.01 0 C-N-CA 123.806 0.842 . . . . 2.7 110.672 177.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.22 10.97 29.58 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.279 0.561 . . . . 2.73 111.296 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.075 0 N-CA-C 109.369 -0.604 . . . . 5.02 109.369 179.217 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 CA--C 1.498 -1.049 0 N-CA-C 109.559 -0.534 . . . . 5.31 109.559 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.432 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -74.98 153.49 38.51 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.456 -0.572 . . . . 1.46 109.456 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m -71.25 110.69 6.05 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 115.845 -0.616 . . . . 1.7 109.421 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.8 mt -60.13 120.68 10.2 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 108.746 -0.835 . . . . 1.02 108.746 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 4.5 pp -82.2 153.34 26.0 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 116.057 -0.52 . . . . 1.37 110.314 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.8 p -113.42 -168.62 1.36 Allowed 'General case' 0 N--CA 1.426 -1.634 0 N-CA-C 112.176 0.436 . . . . 0.88 112.176 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.5 m -48.96 -54.87 13.74 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 125.289 1.436 . . . . 0.7 112.452 -177.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.475 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 19.6 m-20 -70.44 -27.64 64.41 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.708 0.633 . . . . 2.29 112.708 -175.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 15.9 m-20 -63.85 -50.15 69.99 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 108.934 -0.765 . . . . 1.83 108.934 175.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.69 -46.09 91.17 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 114.956 -1.02 . . . . 0.75 109.044 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.648 ' HG3' ' HB2' ' A' ' 26' ' ' LEU . 69.0 ttt180 -45.97 -60.61 2.16 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.203 1.401 . . . . 2.88 112.126 177.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 99.3 mtt180 -59.46 -45.75 90.74 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.275 -0.421 . . . . 3.46 111.483 -176.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 16' ' ' GLU . . . -67.69 -35.95 79.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.591 -0.731 . . . . 0.63 111.15 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.514 HD13 HG21 ' A' ' 48' ' ' THR . 60.0 tp -74.66 -27.96 60.64 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 115.801 -0.636 . . . . 0.62 111.28 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 11' ' ' ARG . 85.5 t -68.95 -36.33 73.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.534 -0.913 . . . . 0.74 108.534 173.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 55.1 mt-10 -60.65 -43.99 96.93 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.027 -0.988 . . . . 2.04 112.339 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.5 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 17.7 m -57.66 -30.49 65.48 Favored 'General case' 0 C--O 1.247 0.935 0 C-N-CA 123.042 0.537 . . . . 1.3 111.748 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 22' ' ' ASP . . . -93.26 -65.68 0.98 Allowed 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 109.605 -0.517 . . . . 1.93 109.605 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.21 -35.19 1.3 Allowed Glycine 0 CA--C 1.528 0.877 0 N-CA-C 114.574 0.59 . . . . 2.29 114.574 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -129.87 104.03 7.14 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 113.444 0.905 . . . . 5.38 113.444 -175.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 m 68.13 8.35 6.48 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 125.608 1.563 . . . . 6.11 114.371 172.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 62.0 m-20 -131.54 2.97 4.18 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.543 -0.723 . . . . 5.17 110.236 175.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.7 86.28 1.55 Allowed Glycine 0 N--CA 1.424 -2.107 0 N-CA-C 107.161 -2.376 . . . . 3.06 107.161 174.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 p -73.71 -171.14 0.98 Allowed 'General case' 0 C--N 1.29 -1.994 0 C-N-CA 123.964 0.906 . . . . 2.78 113.183 -174.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.04 -59.37 2.78 Favored 'General case' 0 CA--C 1.502 -0.881 0 N-CA-C 110.3 -0.259 . . . . 2.9 110.3 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.648 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 71.3 mt 61.73 21.83 12.5 Favored 'General case' 0 C--O 1.247 0.939 0 C-N-CA 123.963 0.905 . . . . 1.38 111.266 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 p -81.11 121.16 25.75 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 115.451 -0.795 . . . . 1.8 111.472 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.41 -104.73 2.36 Favored Glycine 0 N--CA 1.43 -1.741 0 N-CA-C 110.238 -1.145 . . . . 1.82 110.238 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -137.19 122.98 19.98 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.79 -1.189 . . . . 2.57 107.79 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.791 ' HA ' HD13 ' A' ' 33' ' ' LEU . 48.8 p90 -124.77 13.39 8.58 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.755 -0.657 . . . . 0.73 109.951 -177.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.635 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 3.2 mm? -69.88 -18.51 63.41 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 112.936 0.717 . . . . 1.26 112.936 -172.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' HB2' HH22 ' A' ' 72' ' ' ARG . 18.5 t70 -97.84 -10.25 25.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.296 0.569 . . . . 2.24 110.665 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.791 HD13 ' HA ' ' A' ' 30' ' ' PHE . 8.0 mp -77.93 108.55 11.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.333 -0.394 . . . . 1.73 110.621 -177.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -57.04 141.62 45.07 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 115.781 -0.645 . . . . 3.1 111.917 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.506 ' HA ' HG12 ' A' ' 38' ' ' ILE . 59.5 m-85 -62.74 -34.71 77.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.476 -0.784 . . . . 0.43 111.661 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.59 -38.23 74.52 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.267 0.556 . . . . 2.48 110.389 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -75.24 -37.81 60.86 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.462 -0.79 . . . . 2.01 111.09 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.506 HG12 ' HA ' ' A' ' 35' ' ' PHE . 37.1 pt -88.66 21.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 112.624 0.601 . . . . 0.65 112.624 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.49 32.99 85.14 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 115.848 -0.614 . . . . 0.55 114.42 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.5 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 1.1 m-85 -102.01 146.12 28.34 Favored 'General case' 0 N--CA 1.416 -2.173 0 N-CA-C 113.67 0.989 . . . . 1.1 113.67 -178.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.556 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 23.0 m-20 -107.58 160.37 15.73 Favored 'General case' 0 CA--C 1.482 -1.639 0 CA-C-N 114.332 -1.304 . . . . 1.89 109.344 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 m -66.74 -37.2 84.19 Favored 'General case' 0 C--N 1.289 -2.037 0 CA-C-N 115.692 -0.686 . . . . 0.88 111.274 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.434 HD13 ' SD ' ' A' ' 46' ' ' MET . 3.9 mm? -68.25 -28.71 67.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.657 0.741 . . . . 1.7 109.707 176.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.54 -25.19 49.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.268 -0.878 . . . . 0.46 109.699 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 84.7 mt -73.9 -36.26 64.75 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 116.049 -0.523 . . . . 0.31 110.021 176.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.434 ' SD ' HD13 ' A' ' 43' ' ' LEU . 57.8 mtt -64.45 -41.13 96.72 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.615 -0.883 . . . . 1.7 108.615 175.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -60.06 -32.1 70.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.23 1.012 . . . . 1.92 110.408 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.541 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 85.2 m -78.48 -45.54 21.84 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.608 -0.724 . . . . 0.43 110.665 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -64.62 -46.61 81.89 Favored 'General case' 0 C--N 1.312 -1.022 0 O-C-N 122.261 -0.274 . . . . 0.29 111.026 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.69 -37.01 70.29 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.488 0.921 . . . . 0.38 113.488 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.541 ' HD2' ' HA ' ' A' ' 48' ' ' THR . 3.6 ptm85 -67.87 -30.26 69.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.529 0.681 . . . . 2.54 109.974 -178.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.427 HD22 HD22 ' A' ' 5' ' ' LEU . 72.9 mt -83.79 -36.03 23.85 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.444 -0.798 . . . . 0.4 109.266 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 43.6 mt-10 -57.48 -54.34 47.97 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.363 -0.835 . . . . 0.64 109.914 176.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.6 t -61.66 -22.82 65.63 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.863 -1.062 . . . . 1.33 111.139 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -85.61 -54.37 4.59 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 120.796 -0.362 . . . . 3.79 111.678 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.454 ' CE2' HD23 ' A' ' 5' ' ' LEU . 92.1 m-85 -101.05 -12.86 18.52 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 115.003 1.483 . . . . 1.17 115.003 -171.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.87 35.7 8.94 Favored Glycine 0 C--N 1.315 -0.618 0 C-N-CA 119.998 -1.096 . . . . 0.91 113.068 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.516 ' HB ' HD21 ' A' ' 82' ' ' LEU . 3.7 p -102.29 134.42 43.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 107.665 -1.235 . . . . 1.17 107.665 176.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.7 p -102.17 109.91 21.74 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 118.539 0.609 . . . . 1.6 111.17 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.9 mt -118.52 108.26 41.76 Favored Pre-proline 0 C--N 1.305 -1.328 0 N-CA-C 110.002 -0.37 . . . . 0.95 110.002 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.478 ' HD2' HG21 ' A' ' 64' ' ' VAL . 50.9 Cg_exo -57.58 154.01 38.94 Favored 'Trans proline' 0 C--O 1.253 1.246 0 C-N-CA 122.578 2.186 . . . . 0.69 111.479 176.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -59.69 -42.11 92.22 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.552 -0.749 . . . . 2.19 110.563 -175.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -55.29 -45.7 76.22 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 115.753 -0.658 . . . . 2.48 110.89 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.478 HG21 ' HD2' ' A' ' 61' ' ' PRO . 53.6 t -59.91 -58.86 5.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.222 -0.899 . . . . 0.56 109.91 -178.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -59.08 -33.77 71.2 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.442 -0.799 . . . . 0.51 112.069 -177.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.89 -7.09 88.96 Favored Glycine 0 C--N 1.316 -0.53 0 C-N-CA 120.6 -0.809 . . . . 0.97 113.663 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -106.14 -0.25 24.83 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 113.642 0.979 . . . . 3.52 113.642 -177.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 65' ' ' ALA . 27.8 m -79.33 131.92 33.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 C-N-CA 120.082 -0.647 . . . . 0.5 110.601 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -95.69 -39.6 9.8 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.459 0.647 . . . . 1.88 110.542 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 34.6 p -116.46 146.59 37.8 Favored Pre-proline 0 C--N 1.297 -1.683 0 CA-C-N 115.62 -0.718 . . . . 0.43 110.686 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.635 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 51.4 Cg_exo -58.21 -24.84 69.12 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.529 2.819 . . . . 0.34 112.562 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.437 HH22 ' HB2' ' A' ' 32' ' ' ASP . 44.4 ttm180 -56.8 -39.08 73.49 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.538 0.735 . . . . 2.05 109.778 176.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.622 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 38.3 mt-10 -70.81 -43.89 67.68 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.296 -0.865 . . . . 2.23 110.551 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.37 -43.97 92.84 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.426 -0.953 . . . . 1.17 108.426 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.25 -39.51 94.8 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.705 -0.68 . . . . 0.6 109.905 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.59 -38.42 90.95 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.424 -0.807 . . . . 0.89 110.823 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 97.6 mt -57.74 -46.08 84.97 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.192 0.597 . . . . 1.06 109.994 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.434 HG21 ' HG ' ' A' ' 5' ' ' LEU . 49.8 mm -65.45 -62.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 114.972 -1.013 . . . . 0.62 109.445 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -52.82 -47.04 67.94 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.655 -0.702 . . . . 1.45 112.161 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.62 -47.07 92.04 Favored Glycine 0 N--CA 1.446 -0.65 0 O-C-N 123.442 0.464 . . . . 0.48 113.452 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB3' HG23 ' A' ' 58' ' ' VAL . . . -72.03 -36.81 69.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.046 0.45 . . . . 0.56 111.597 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.516 HD21 ' HB ' ' A' ' 58' ' ' VAL . 84.4 mt -74.75 -17.58 60.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.406 -0.361 . . . . 0.72 111.043 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.95 -20.89 60.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.454 0.645 . . . . 0.93 109.655 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -86.72 -68.27 0.76 Allowed 'General case' 0 N--CA 1.436 -1.17 0 N-CA-C 108.488 -0.93 . . . . 2.7 108.488 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 170.07 -63.35 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 125.907 1.683 . . . . 2.73 106.497 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.617 0 N-CA-C 106.522 -1.658 . . . . 5.02 106.522 178.79 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 ttp . . . . . 0 C--O 1.239 0.549 0 CA-C-O 120.556 0.217 . . . . 5.31 110.469 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.75 139.1 58.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 116.128 -0.487 . . . . 1.46 111.221 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.2 p -78.31 107.29 10.82 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-N 115.493 -0.776 . . . . 1.7 109.543 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 79' ' ' ASN . 22.9 mt -63.42 119.81 10.44 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.038 -1.097 . . . . 1.02 108.038 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' HG ' ' OD1' ' A' ' 79' ' ' ASN . 4.4 pp -62.9 140.23 58.8 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 123.629 0.581 . . . . 1.37 110.56 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -85.1 -174.91 5.51 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 116.132 -0.486 . . . . 0.88 110.683 -177.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -68.03 -32.26 72.5 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 108.835 -0.802 . . . . 0.7 108.835 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.95 -42.84 76.12 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.564 -0.744 . . . . 2.29 110.181 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.472 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 30.2 m-20 -63.98 -43.65 95.09 Favored 'General case' 0 CA--C 1.495 -1.16 0 CA-C-N 115.82 -0.627 . . . . 1.83 110.448 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.715 HD22 ' HB2' ' A' ' 75' ' ' LEU . 59.2 tp -62.35 -46.64 87.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.573 -0.74 . . . . 0.75 109.523 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.0 ttp180 -53.95 -56.95 13.11 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.445 -0.798 . . . . 2.88 111.669 179.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -58.93 -34.45 71.75 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.71 0.633 . . . . 3.46 112.71 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HB1' ' HD2' ' A' ' 51' ' ' ARG . . . -76.24 -34.46 59.2 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.18 0.514 . . . . 0.63 111.623 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.498 HD23 HD21 ' A' ' 26' ' ' LEU . 55.0 tp -79.73 -32.87 41.18 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 120.958 0.409 . . . . 0.62 109.989 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 11' ' ' ARG . 88.9 t -67.91 -29.86 46.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 109.249 -0.649 . . . . 0.74 109.249 174.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -57.32 -53.22 60.57 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.44 0.696 . . . . 2.04 110.431 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.589 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . 5.1 m -68.14 -35.85 78.75 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.973 0.416 . . . . 1.3 110.262 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.92 -19.76 65.98 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 123.673 0.789 . . . . 1.93 112.933 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.96 -32.01 82.75 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.141 -0.552 . . . . 2.29 113.323 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -96.7 9.73 40.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.303 0.573 . . . . 5.38 110.354 -178.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -143.89 -145.89 0.18 Allowed 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.518 -0.919 . . . . 6.11 108.518 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -94.39 165.11 12.73 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.403 -0.592 . . . . 5.17 109.403 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.61 -147.4 5.46 Favored Glycine 0 N--CA 1.402 -3.596 0 N-CA-C 108.329 -1.908 . . . . 3.06 108.329 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.9 t 178.08 -156.53 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 107.725 -1.213 . . . . 2.78 107.725 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -82.3 107.51 15.04 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 106.419 -1.697 . . . . 2.9 106.419 175.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.498 HD21 HD23 ' A' ' 14' ' ' LEU . 22.1 tp -111.8 26.34 10.72 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-O 121.717 0.77 . . . . 1.38 109.781 -171.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.4 t -105.97 159.29 16.16 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.239 -1.023 . . . . 1.8 108.239 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.79 -115.21 4.01 Favored Glycine 0 N--CA 1.439 -1.1 0 C-N-CA 120.484 -0.865 . . . . 1.82 113.322 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -104.34 117.44 34.2 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 109.736 -0.468 . . . . 2.57 109.736 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -156.83 8.49 0.19 Allowed 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 120.36 -0.536 . . . . 0.73 112.414 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.723 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.9 mm? -78.73 -21.37 48.13 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.278 -0.569 . . . . 1.26 111.902 -173.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -102.73 -7.31 21.79 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-O 121.477 0.656 . . . . 2.24 110.902 -177.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt -75.91 133.15 40.59 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.457 -0.942 . . . . 1.73 108.457 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -75.74 150.86 37.73 Favored 'General case' 0 C--N 1.298 -1.674 0 C-N-CA 120.844 -0.343 . . . . 3.1 110.765 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.466 ' HD1' HD11 ' A' ' 38' ' ' ILE . 59.0 m-85 -65.41 -26.76 68.13 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.497 -0.32 . . . . 0.43 111.11 177.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.13 -34.61 73.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.214 0.53 . . . . 2.48 109.937 175.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.27 -41.27 66.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.084 0.469 . . . . 2.01 110.626 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.466 HD11 ' HD1' ' A' ' 35' ' ' PHE . 31.8 pt -85.16 3.41 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.32 0.581 . . . . 0.65 111.87 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.32 47.24 72.66 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.319 -0.855 . . . . 0.55 113.122 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.589 ' OH ' ' HB2' ' A' ' 17' ' ' SER . 0.2 OUTLIER -99.3 142.47 30.75 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 110.072 -0.344 . . . . 1.1 110.072 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -95.09 162.86 13.54 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.209 -1.034 . . . . 1.89 108.209 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.487 ' O ' ' HG3' ' A' ' 46' ' ' MET . 14.0 m -70.58 -36.89 73.82 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 122.925 0.49 . . . . 0.88 110.619 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.9 -30.73 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.899 -0.778 . . . . 1.7 108.899 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.1 -37.03 83.22 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.103 -0.953 . . . . 0.46 109.761 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.99 -40.44 83.09 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 116.016 -0.538 . . . . 0.31 110.059 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.531 ' SD ' ' HB3' ' A' ' 62' ' ' ASP . 64.7 mtt -63.86 -35.37 80.4 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.441 -0.8 . . . . 1.7 110.537 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.36 -41.91 69.13 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 109.247 -0.649 . . . . 1.92 109.247 176.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.558 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 89.9 m -60.48 -47.43 86.18 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.445 -0.798 . . . . 0.43 110.547 178.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.39 85.49 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.023 0.44 . . . . 0.29 110.273 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.89 87.0 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 115.805 -0.634 . . . . 0.38 112.652 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 48' ' ' THR . 6.8 ptp180 -67.3 -31.08 71.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.046 -0.661 . . . . 2.54 109.331 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 78' ' ' ILE . 99.0 mt -72.64 -34.04 67.03 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.286 -0.87 . . . . 0.4 110.191 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.501 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 45.2 mt-10 -59.11 -53.76 54.72 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.972 -0.751 . . . . 0.64 108.972 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 t -65.55 -23.85 66.96 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 113.989 -1.459 . . . . 1.33 111.425 -175.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -89.73 -53.44 4.51 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.305 -0.407 . . . . 3.79 111.799 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -90.14 -16.7 29.05 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 114.027 1.121 . . . . 1.17 114.027 -171.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.24 68.9 1.21 Allowed Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.007 -1.092 . . . . 0.91 112.711 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.548 ' HB ' HD23 ' A' ' 82' ' ' LEU . 9.6 p -153.61 168.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.524 -1.287 . . . . 1.17 107.524 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.501 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 52.8 m -137.0 115.54 11.95 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-O 121.337 0.589 . . . . 1.6 109.525 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.6 HD12 HD13 ' A' ' 78' ' ' ILE . 71.9 mt -131.32 121.49 18.54 Favored Pre-proline 0 C--N 1.308 -1.205 0 CA-C-N 115.333 -0.848 . . . . 0.95 109.332 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.402 ' HB2' HG23 ' A' ' 64' ' ' VAL . 72.2 Cg_exo -55.91 141.9 85.18 Favored 'Trans proline' 0 C--O 1.244 0.782 0 C-N-CA 123.239 2.626 . . . . 0.69 112.661 178.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.531 ' HB3' ' SD ' ' A' ' 46' ' ' MET . 4.7 m-20 -53.27 -42.88 66.98 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.013 0.925 . . . . 2.19 111.232 -178.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -61.46 -16.77 50.31 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.107 0.78 . . . . 2.48 113.107 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' A' ' 61' ' ' PRO . 47.4 t -78.81 -32.07 15.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.671 0.748 . . . . 0.56 109.507 178.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.95 -1.56 29.29 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.532 -0.758 . . . . 0.51 110.955 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.8 -7.13 81.78 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 110.886 -0.886 . . . . 0.97 110.886 176.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 48.5 mtm105 -105.24 -0.9 25.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.301 0.482 . . . . 3.52 112.301 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m -91.77 104.44 15.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 108.588 -0.893 . . . . 0.5 108.588 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -85.06 -30.18 24.31 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.334 -0.848 . . . . 1.88 111.769 -174.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.413 ' OG1' ' HG2' ' A' ' 73' ' ' GLU . 43.8 p -124.41 154.21 69.25 Favored Pre-proline 0 N--CA 1.433 -1.297 0 N-CA-C 109.201 -0.666 . . . . 0.43 109.201 178.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.63 -27.06 81.67 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 123.424 2.749 . . . . 0.34 113.528 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.723 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 35.6 ttm105 -59.41 -43.67 92.96 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 109.455 -0.572 . . . . 2.05 109.455 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.413 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 11.1 mm-40 -67.42 -40.54 85.54 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 114.48 -1.236 . . . . 2.23 109.639 -177.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.69 -43.63 96.08 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.571 -0.9 . . . . 1.17 108.571 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.715 ' HB2' HD22 ' A' ' 10' ' ' LEU . 5.0 tt -59.13 -51.13 71.36 Favored 'General case' 0 C--O 1.246 0.89 0 N-CA-C 108.495 -0.928 . . . . 0.6 108.495 178.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.6 -38.69 91.13 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.298 -1.319 . . . . 0.89 111.187 -177.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.49 -50.11 74.92 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 123.136 0.575 . . . . 1.06 111.262 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.6 HD13 HD12 ' A' ' 60' ' ' ILE . 47.8 mm -65.26 -60.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.243 -0.435 . . . . 0.62 110.527 -178.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.54 ' HB3' HD22 ' A' ' 4' ' ' LEU . 80.4 m-20 -63.63 -34.56 78.1 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 112.434 0.531 . . . . 1.45 112.434 -175.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 84' ' ' GLU . . . -60.7 -41.35 98.96 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 111.273 -0.731 . . . . 0.48 111.273 178.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.28 -35.6 66.18 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 123.774 0.338 . . . . 0.56 110.393 178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.548 HD23 ' HB ' ' A' ' 58' ' ' VAL . 89.7 mt -58.46 -43.15 88.75 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.378 0.609 . . . . 0.72 110.914 176.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.01 -2.92 58.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.677 -0.692 . . . . 0.93 111.22 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 80' ' ' GLY . 9.7 tp10 -94.13 -56.44 2.85 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.919 -0.771 . . . . 2.7 108.919 -178.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.27 -48.12 68.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.324 -0.853 . . . . 2.73 110.983 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.263 0 CA-C-N 115.85 -0.614 . . . . 5.02 109.67 -179.29 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 112.533 0.568 . . . . 5.31 112.533 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.3 149.67 24.09 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-O 121.012 0.435 . . . . 1.46 111.147 -172.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 t -78.93 107.5 11.71 Favored 'General case' 0 N--CA 1.415 -2.223 0 CA-C-N 115.192 -0.913 . . . . 1.7 108.837 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.42 125.04 25.48 Favored 'General case' 0 N--CA 1.425 -1.712 0 N-CA-C 108.097 -1.075 . . . . 1.02 108.097 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.4 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 2.1 pt? -64.44 142.48 58.41 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.757 -0.656 . . . . 1.37 110.067 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.5 p -88.39 -170.86 3.12 Favored 'General case' 0 N--CA 1.411 -2.378 0 CA-C-N 116.184 -0.462 . . . . 0.88 110.002 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -71.38 -13.51 61.88 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.115 0.483 . . . . 0.7 110.953 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.91 -49.08 76.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 123.747 0.819 . . . . 2.29 110.294 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.523 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 14.2 m-20 -69.2 -38.34 78.57 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 115.679 -0.691 . . . . 1.83 110.401 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.542 HD22 ' HB2' ' A' ' 75' ' ' LEU . 40.8 tp -60.76 -47.09 87.86 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.148 -0.686 . . . . 0.75 109.148 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -54.78 -61.71 2.13 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.531 1.132 . . . . 2.88 110.762 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 14.6 ptm180 -59.75 -35.8 75.32 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 112.172 0.434 . . . . 3.46 112.172 -176.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.518 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . . . -71.44 -40.75 70.19 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.223 0.535 . . . . 0.63 111.319 -178.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.6 tp -72.72 -39.36 67.01 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.933 -0.576 . . . . 0.62 110.499 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.1 t -63.94 -44.14 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.973 -0.751 . . . . 0.74 108.973 175.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 35.7 tt0 -62.57 -19.31 63.57 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.564 0.746 . . . . 2.04 111.93 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.7 m -75.19 -5.51 44.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.203 0.525 . . . . 1.3 110.935 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.56 -34.25 3.09 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.739 -0.837 . . . . 1.93 108.739 173.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.41 -80.23 1.83 Allowed Glycine 0 CA--C 1.496 -1.141 0 N-CA-C 109.388 -1.485 . . . . 2.29 109.388 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -109.39 167.97 9.73 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 107.148 -1.427 . . . . 5.38 107.148 173.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p 52.36 61.89 2.97 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.977 0.894 . . . . 6.11 111.391 -175.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -71.74 -170.68 0.58 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.841 -1.072 . . . . 5.17 111.833 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.62 -127.25 0.06 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 114.437 0.535 . . . . 3.06 114.437 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 t -152.13 108.8 3.47 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.928 -0.767 . . . . 2.78 108.928 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 63.02 34.81 13.61 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.504 1.122 . . . . 2.9 109.221 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 tp -82.1 32.88 0.38 Allowed 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 114.825 -1.08 . . . . 1.38 111.137 -173.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.8 m -147.81 109.16 4.32 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.552 -0.907 . . . . 1.8 108.552 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.06 -130.62 6.72 Favored Glycine 0 N--CA 1.433 -1.506 0 N-CA-C 109.56 -1.416 . . . . 1.82 109.56 -175.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -89.39 98.49 11.79 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 122.058 0.932 . . . . 2.57 109.746 176.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.911 ' HA ' HD13 ' A' ' 33' ' ' LEU . 54.3 p90 -134.27 14.64 3.82 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.141 -0.936 . . . . 0.73 111.142 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.52 ' O ' ' HB ' ' A' ' 70' ' ' THR . 5.6 mp -67.79 -26.56 66.15 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.208 0.818 . . . . 1.26 113.208 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -101.15 -0.93 35.18 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.644 0.735 . . . . 2.24 110.952 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.911 HD13 ' HA ' ' A' ' 30' ' ' PHE . 9.8 mp -77.81 99.54 5.96 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.577 -0.527 . . . . 1.73 109.577 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -51.03 140.17 16.25 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.63 0.772 . . . . 3.1 111.911 -178.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.587 ' HA ' HG12 ' A' ' 38' ' ' ILE . 64.7 m-85 -64.22 -31.63 72.91 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.156 -0.475 . . . . 0.43 109.752 177.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.38 -24.82 68.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.816 -1.083 . . . . 2.48 110.226 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -88.84 -36.7 15.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.107 -0.497 . . . . 2.01 110.665 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.587 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.7 pt -86.13 4.81 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.642 0.608 . . . . 0.65 112.642 -178.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.67 25.2 54.22 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.249 -0.5 . . . . 0.55 114.116 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.43 136.41 39.41 Favored 'General case' 0 N--CA 1.431 -1.385 0 O-C-N 122.326 -0.514 . . . . 1.1 111.138 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.674 ' HA ' H312 ' A' ' 87' ' ' PNS . 7.1 m-20 -89.35 145.99 24.98 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.76 -1.2 . . . . 1.89 107.76 177.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.901 ' H ' H281 ' A' ' 87' ' ' PNS . 14.7 m -63.18 -20.5 65.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.532 0.682 . . . . 0.88 111.128 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 tt -72.08 -33.45 67.91 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.497 -0.927 . . . . 1.7 108.497 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.76 -28.24 58.38 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.044 0.449 . . . . 0.46 109.979 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 42' ' ' SER . 80.8 mt -64.32 -30.89 71.93 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 115.407 -0.815 . . . . 0.31 110.316 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.529 ' SD ' ' HB3' ' A' ' 62' ' ' ASP . 58.9 mtt -62.95 -37.95 89.1 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.716 -1.129 . . . . 1.7 109.172 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -72.32 -35.58 68.66 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.934 -0.765 . . . . 1.92 108.934 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.568 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 22.1 m -59.51 -52.71 64.39 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.548 -0.751 . . . . 0.43 109.206 176.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.15 90.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.172 -0.467 . . . . 0.29 110.833 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.635 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . -55.58 -42.85 75.33 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.237 0.615 . . . . 0.38 112.361 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' A' ' 48' ' ' THR . 8.6 ptp180 -72.26 -27.96 62.82 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.102 -0.639 . . . . 2.54 110.286 -178.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.605 ' HA ' ' HB3' ' A' ' 55' ' ' ARG . 95.4 mt -75.18 -26.78 59.32 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.271 -0.422 . . . . 0.4 110.892 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.635 ' OE1' ' HA ' ' A' ' 50' ' ' ALA . 47.2 mt-10 -58.38 -50.31 74.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.64 109.929 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -77.39 -23.76 50.65 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.699 -0.682 . . . . 1.33 110.971 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.605 ' HB3' ' HA ' ' A' ' 52' ' ' LEU . 29.5 tpt180 -68.96 -42.89 76.03 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.228 0.611 . . . . 3.79 111.015 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.417 ' CD1' ' HG3' ' A' ' 55' ' ' ARG . 61.5 m-85 -117.21 3.11 12.64 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.004 1.483 . . . . 1.17 115.004 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.17 57.89 4.97 Favored Glycine 0 C--N 1.311 -0.819 0 C-N-CA 120.333 -0.937 . . . . 0.91 112.025 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.2 p -141.02 173.8 8.63 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 N-CA-C 107.973 -1.121 . . . . 1.17 107.973 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.9 m -138.38 126.22 22.42 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 123.112 0.565 . . . . 1.6 109.607 175.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.643 HD12 HD13 ' A' ' 78' ' ' ILE . 57.5 mt -134.56 120.59 14.66 Favored Pre-proline 0 C--N 1.305 -1.348 0 N-CA-C 109.294 -0.632 . . . . 0.95 109.294 -178.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.452 ' HB2' HG23 ' A' ' 64' ' ' VAL . 51.6 Cg_exo -56.46 146.05 76.38 Favored 'Trans proline' 0 C--O 1.251 1.163 0 C-N-CA 123.457 2.771 . . . . 0.69 113.228 -178.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.529 ' HB3' ' SD ' ' A' ' 46' ' ' MET . 7.6 m-20 -56.07 -44.87 79.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.89 -1.05 . . . . 2.19 110.187 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.583 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 6.2 t70 -52.94 -42.68 65.67 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.828 -0.623 . . . . 2.48 112.143 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' A' ' 61' ' ' PRO . 90.4 t -62.57 -51.2 75.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 C-N-CA 123.195 0.598 . . . . 0.56 110.297 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -64.76 -30.63 71.64 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.639 -0.71 . . . . 0.51 110.983 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.03 26.2 4.42 Favored Glycine 0 C--N 1.314 -0.684 0 C-N-CA 121.361 -0.447 . . . . 0.97 113.235 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 95.8 mtt180 -128.96 -12.06 4.73 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.373 -0.487 . . . . 3.52 110.897 177.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 65' ' ' ALA . 22.1 m -75.64 120.21 25.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 113.005 0.743 . . . . 0.5 113.005 -173.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.38 -54.0 24.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.45 -1.25 . . . . 1.88 111.598 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 59.6 p -122.81 160.84 47.29 Favored Pre-proline 0 N--CA 1.436 -1.166 0 CA-C-N 115.395 -0.82 . . . . 0.43 110.305 -174.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.76 -24.77 73.09 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 123.46 2.773 . . . . 0.34 112.61 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.492 ' HA ' ' HG ' ' A' ' 31' ' ' LEU . 31.0 ttm105 -58.52 -44.82 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.844 -0.799 . . . . 2.05 108.844 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 7.7 mm-40 -68.16 -38.29 81.92 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 114.793 -1.094 . . . . 2.23 109.716 -176.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.33 -44.22 79.63 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.537 -0.912 . . . . 1.17 108.537 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.542 ' HB2' HD22 ' A' ' 10' ' ' LEU . 50.0 tp -61.55 -42.21 98.49 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.307 -0.627 . . . . 0.6 109.307 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.54 -37.35 75.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.495 -1.23 . . . . 0.89 111.164 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 87.9 mt -59.95 -50.75 72.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.099 0.476 . . . . 1.06 110.382 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.643 HD13 HD12 ' A' ' 60' ' ' ILE . 21.1 mm -66.66 -46.99 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.009 -0.737 . . . . 0.62 109.009 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -54.71 -51.3 66.0 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.935 -0.575 . . . . 1.45 111.223 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.76 -47.8 88.04 Favored Glycine 0 N--CA 1.449 -0.464 0 O-C-N 123.694 0.621 . . . . 0.48 112.694 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.81 80.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.875 0.369 . . . . 0.56 111.898 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.2 mt -79.14 -24.34 43.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.487 -0.324 . . . . 0.72 111.545 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.47 -47.54 14.16 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.87 0.367 . . . . 0.93 110.681 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.81 -26.73 59.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.16 -0.473 . . . . 2.7 110.344 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 69.64 88.34 0.11 Allowed 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 124.863 1.265 . . . . 2.73 110.415 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.692 0 CA-C-N 115.329 -0.851 . . . . 5.02 108.863 178.093 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . 0.901 H281 ' H ' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.493 ' SD ' ' HB2' ' A' ' 86' ' ' ALA . 49.6 ttm . . . . . 0 C--O 1.239 0.503 0 N-CA-C 109.287 -0.634 . . . . 5.31 109.287 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.57 159.98 22.6 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.175 -1.046 . . . . 1.46 108.175 178.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 t -90.63 106.22 18.35 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 122.159 0.98 . . . . 1.7 110.111 -176.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.688 HD22 ' HA ' ' A' ' 79' ' ' ASN . 81.3 mt -79.95 155.53 27.65 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.772 -0.649 . . . . 1.02 109.49 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.631 ' HG ' HG21 ' A' ' 78' ' ' ILE . 77.8 mt -76.05 144.71 40.62 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 110.019 -0.363 . . . . 1.37 110.019 -178.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 p -84.87 -177.72 6.65 Favored 'General case' 0 N--CA 1.414 -2.253 0 N-CA-C 108.342 -0.984 . . . . 0.88 108.342 170.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.48 HG23 HD21 ' A' ' 31' ' ' LEU . 26.1 m -69.76 -47.41 63.08 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.263 -1.014 . . . . 0.7 108.263 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.559 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 2.1 p-10 -68.4 -33.32 74.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.565 -0.743 . . . . 2.29 111.624 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.8 -45.54 81.98 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.757 -0.46 . . . . 1.83 109.757 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.565 HD22 ' HB2' ' A' ' 75' ' ' LEU . 61.6 tp -61.8 -44.94 95.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.309 -0.86 . . . . 0.75 109.539 177.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.569 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.9 ttm180 -53.25 -55.24 26.09 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 115.331 -0.849 . . . . 2.88 110.702 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 42.1 mtp85 -61.64 -42.31 98.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.04 -0.527 . . . . 3.46 111.255 -176.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.81 98.65 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.597 0.713 . . . . 0.63 110.67 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.593 HD13 HG21 ' A' ' 48' ' ' THR . 62.6 tp -75.28 -19.25 59.8 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.208 -0.906 . . . . 0.62 111.442 -178.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 11' ' ' ARG . 60.6 t -77.36 -54.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.609 -1.256 . . . . 0.74 107.609 172.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' OE2' ' HB3' ' A' ' 20' ' ' GLU . 61.2 mm-40 -56.77 -20.02 20.06 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.069 1.137 . . . . 2.04 114.069 -176.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.1 m -63.34 -48.91 76.02 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 109.748 -0.464 . . . . 1.3 109.748 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.42 -29.0 26.49 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.752 -0.462 . . . . 1.93 109.752 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.81 146.17 5.69 Favored Glycine 0 N--CA 1.433 -1.5 0 N-CA-C 110.571 -1.012 . . . . 2.29 110.571 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HB3' ' OE2' ' A' ' 16' ' ' GLU . 8.1 pt-20 -55.73 99.14 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.963 0.887 . . . . 5.38 112.819 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.0 m 67.5 16.25 9.93 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 122.327 1.06 . . . . 6.11 110.518 -177.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -89.93 -27.85 19.56 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 108.383 -0.969 . . . . 5.17 108.383 176.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.68 -75.92 0.82 Allowed Glycine 0 N--CA 1.438 -1.225 0 CA-C-N 114.848 -1.069 . . . . 3.06 111.465 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.6 t -169.01 -169.14 0.93 Allowed 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 106.45 -1.685 . . . . 2.78 106.45 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -88.13 97.49 11.02 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 107.909 -1.145 . . . . 2.9 107.909 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.565 ' HB3' HG22 ' A' ' 15' ' ' VAL . 45.0 tp -105.49 79.11 1.42 Allowed 'General case' 0 N--CA 1.414 -2.228 0 N-CA-C 108.364 -0.976 . . . . 1.38 108.364 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.8 t -141.81 166.11 25.62 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.018 -1.104 . . . . 1.8 108.018 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.92 -154.51 41.46 Favored Glycine 0 N--CA 1.433 -1.512 0 N-CA-C 111.045 -0.822 . . . . 1.82 111.045 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -76.98 108.93 10.4 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 109.043 -0.725 . . . . 2.57 109.043 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -117.32 -6.05 11.28 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 113.322 0.86 . . . . 0.73 113.322 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.48 HD21 HG23 ' A' ' 7' ' ' THR . 3.2 mm? -69.46 -27.63 65.4 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 120.582 -0.447 . . . . 1.26 110.772 -176.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -96.47 9.53 41.07 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.492 -0.777 . . . . 2.24 111.367 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.8 mt -102.14 133.25 47.28 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.69 -1.226 . . . . 1.73 107.69 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -78.53 164.29 24.83 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.234 -0.654 . . . . 3.1 109.234 -177.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' HA ' HG12 ' A' ' 38' ' ' ILE . 68.1 m-85 -73.7 -27.78 61.39 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.97 -1.122 . . . . 0.43 107.97 175.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.82 -22.8 67.09 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.68 -1.146 . . . . 2.48 110.357 172.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -82.02 -42.66 19.01 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 116.108 -0.496 . . . . 2.01 110.619 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.488 HG12 ' HA ' ' A' ' 35' ' ' PHE . 36.2 pt -93.79 11.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 113.926 1.084 . . . . 0.65 113.926 -174.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.48 49.98 47.1 Favored Glycine 0 C--N 1.313 -0.748 0 C-N-CA 121.336 -0.459 . . . . 0.55 113.287 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -125.75 128.37 47.63 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 120.886 0.374 . . . . 1.1 111.329 179.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.506 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.0 m-20 -87.41 165.09 15.83 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.188 -0.671 . . . . 1.89 109.188 175.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.473 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 3.4 m -66.35 -28.89 69.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.067 0.937 . . . . 0.88 109.003 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.446 ' HA ' ' HE2' ' A' ' 46' ' ' MET . 81.7 mt -58.72 -49.47 77.47 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.131 -1.395 . . . . 1.7 110.273 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.86 -26.9 66.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.577 -0.738 . . . . 0.46 111.144 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 79.8 mt -67.19 -31.42 71.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.987 0.422 . . . . 0.31 111.21 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.557 ' SD ' ' HB2' ' A' ' 62' ' ' ASP . 55.8 mtm -69.13 -30.57 68.86 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.669 -0.493 . . . . 1.7 109.669 178.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.84 -44.48 66.37 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.279 -1.008 . . . . 1.92 108.279 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.593 HG21 HD13 ' A' ' 14' ' ' LEU . 60.0 m -59.14 -41.84 89.23 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.916 -0.584 . . . . 0.43 110.647 176.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -68.08 -40.54 82.67 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.458 -0.497 . . . . 0.29 110.61 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.84 -41.82 83.12 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.174 0.59 . . . . 0.38 112.418 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -68.31 -25.72 65.27 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.047 0.451 . . . . 2.54 110.974 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -83.4 -40.37 19.44 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 116.038 -0.528 . . . . 0.4 110.053 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 44.0 mt-10 -53.42 -59.02 5.12 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.292 0.637 . . . . 0.64 110.631 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 p -64.2 -28.85 70.03 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.156 -0.929 . . . . 1.33 112.802 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -85.69 -32.37 21.98 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 112.045 0.387 . . . . 3.79 112.045 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -107.99 -5.11 17.27 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 114.422 1.268 . . . . 1.17 114.422 -174.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.33 55.18 4.08 Favored Glycine 0 C--O 1.247 0.968 0 C-N-CA 120.978 -0.63 . . . . 0.91 112.682 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.0 p -154.2 175.17 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 107.547 -1.279 . . . . 1.17 107.547 -177.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -139.88 144.64 37.31 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-N 118.898 0.772 . . . . 1.6 110.131 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.493 HD11 HD13 ' A' ' 78' ' ' ILE . 69.8 mt -127.64 122.83 22.76 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 107.75 -1.204 . . . . 0.95 107.75 178.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.568 ' HB2' HG23 ' A' ' 64' ' ' VAL . 31.2 Cg_exo -60.05 140.72 93.97 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 122.542 2.161 . . . . 0.69 112.0 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.557 ' HB2' ' SD ' ' A' ' 46' ' ' MET . 4.6 p-10 -60.77 -34.42 74.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.267 -0.424 . . . . 2.19 111.641 -177.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -67.5 -20.21 65.42 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.038 0.447 . . . . 2.48 111.343 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.568 HG23 ' HB2' ' A' ' 61' ' ' PRO . 84.7 t -86.16 -53.33 10.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.287 0 CA-C-N 115.443 -0.799 . . . . 0.56 109.339 178.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.49 82.6 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.43 -0.804 . . . . 0.51 111.066 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 42' ' ' SER . . . -88.28 32.76 4.29 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.905 -0.664 . . . . 0.97 111.795 177.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 64' ' ' VAL . 59.3 ttt180 -137.32 -19.48 1.25 Allowed 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.388 0.675 . . . . 3.52 110.593 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 77' ' ' LEU . 28.5 m -68.84 131.17 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-O 121.663 0.744 . . . . 0.5 111.186 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -93.17 -38.33 11.63 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 114.725 -1.125 . . . . 1.88 111.327 -175.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.5 p -125.78 153.54 73.28 Favored Pre-proline 0 C--N 1.304 -1.411 0 CA-C-N 115.832 -0.622 . . . . 0.43 110.138 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.55 -20.42 70.64 Favored 'Trans proline' 0 C--N 1.367 1.549 0 C-N-CA 123.634 2.89 . . . . 0.34 112.268 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.5 -38.55 77.92 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.579 -0.737 . . . . 2.05 109.973 176.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.582 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.2 mt-10 -73.12 -42.06 63.31 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-N 115.216 -0.902 . . . . 2.23 110.005 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.98 -41.34 91.82 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 108.478 -0.934 . . . . 1.17 108.478 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.565 ' HB2' HD22 ' A' ' 10' ' ' LEU . 57.9 tp -64.07 -45.01 90.65 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.72 -0.673 . . . . 0.6 109.664 176.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -57.39 -41.0 79.41 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.43 -0.804 . . . . 0.89 111.901 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 65.5 mt -55.08 -42.29 72.65 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 123.695 0.622 . . . . 1.06 110.001 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.631 HG21 ' HG ' ' A' ' 5' ' ' LEU . 44.7 mm -73.39 -54.11 16.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 CA-C-N 115.443 -0.799 . . . . 0.62 109.788 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.688 ' HA ' HD22 ' A' ' 4' ' ' LEU . 14.0 m120 -52.19 -51.51 57.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.545 0.572 . . . . 1.45 112.545 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.24 -44.15 91.47 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.55 -0.357 . . . . 0.48 112.359 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.08 86.56 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.872 0.367 . . . . 0.56 111.685 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.2 mt -77.04 -14.32 59.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.004 0.372 . . . . 0.72 112.004 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.3 -18.0 60.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.832 0.825 . . . . 0.93 108.974 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -100.92 4.84 42.98 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.034 -0.985 . . . . 2.7 109.116 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -111.71 145.48 39.22 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.981 -0.554 . . . . 2.73 111.164 -176.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.493 ' HB2' ' SD ' ' A' ' 1' ' ' MET . . . . . . . . 0 N--CA 1.428 -1.554 0 N-CA-C 107.307 -1.368 . . . . 5.02 107.307 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 ttp . . . . . 0 C--O 1.24 0.594 0 N-CA-C 108.951 -0.759 . . . . 5.31 108.951 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 82' ' ' LEU . . . -58.62 134.94 57.21 Favored 'General case' 0 C--O 1.247 0.937 0 CA-C-O 121.447 0.641 . . . . 1.46 111.945 -178.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.2 m -80.92 106.88 13.26 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.915 -1.038 . . . . 1.7 110.177 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.6 mt -76.09 123.22 25.45 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 107.953 -1.128 . . . . 1.02 107.953 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.502 HD22 HD22 ' A' ' 52' ' ' LEU . 4.7 pp -79.52 152.67 30.05 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 120.992 -0.283 . . . . 1.37 111.434 -175.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p -83.77 -179.42 7.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.257 0.551 . . . . 0.88 111.583 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.7 m -81.19 -13.45 58.58 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 122.098 0.952 . . . . 0.7 108.783 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -79.48 -37.46 36.78 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 107.848 -1.167 . . . . 2.29 107.848 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.526 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 33.5 m-20 -65.52 -44.28 87.41 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.442 -0.799 . . . . 1.83 109.535 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.569 HD22 ' HB2' ' A' ' 75' ' ' LEU . 61.9 tp -54.93 -45.7 74.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.616 -0.72 . . . . 0.75 109.97 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -61.56 -59.67 4.87 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.465 -0.789 . . . . 2.88 111.184 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.526 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 16.2 ptm180 -54.49 -38.99 67.1 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.457 0.54 . . . . 3.46 112.457 -176.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.599 ' HB1' ' HD2' ' A' ' 51' ' ' ARG . . . -65.17 -51.98 57.76 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.343 0.592 . . . . 0.63 110.608 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD23 HD21 ' A' ' 26' ' ' LEU . 38.0 tp -63.84 -42.73 97.53 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.792 -1.094 . . . . 0.62 110.801 -176.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 22' ' ' ASP . 74.8 t -59.77 -42.42 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.688 -0.687 . . . . 0.74 110.167 177.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.42 -35.23 65.8 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.585 -0.446 . . . . 2.04 110.617 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.609 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 74.5 m -68.13 -17.11 64.27 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 120.923 0.392 . . . . 1.3 111.862 176.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.581 ' HB2' ' OH ' ' A' ' 40' ' ' TYR . . . -76.42 -43.49 40.07 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.72 -1.215 . . . . 1.93 107.72 172.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.56 -122.88 7.49 Favored Glycine 0 N--CA 1.426 -2.007 0 N-CA-C 110.769 -0.932 . . . . 2.29 110.769 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -83.87 -4.68 58.86 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.224 0.535 . . . . 5.38 112.133 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 p -90.19 44.22 1.19 Allowed 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 122.629 1.204 . . . . 6.11 110.27 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.535 ' HB2' HG13 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -88.15 155.24 19.88 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 114.314 -1.312 . . . . 5.17 108.543 -178.563 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.02 101.62 1.93 Allowed Glycine 0 N--CA 1.427 -1.9 0 C-N-CA 120.192 -1.004 . . . . 3.06 113.037 174.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.407 HG23 ' HB2' ' A' ' 26' ' ' LEU . 11.3 t -171.98 -179.01 2.28 Favored 'General case' 0 C--N 1.287 -2.147 0 N-CA-C 104.108 -2.553 . . . . 2.78 104.108 177.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -82.61 89.69 6.73 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 119.278 0.945 . . . . 2.9 108.78 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.489 HD21 HD23 ' A' ' 14' ' ' LEU . 22.4 tp -130.91 24.25 4.98 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.334 -1.358 . . . . 1.38 107.334 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.1 t -128.39 138.35 52.3 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 107.297 -1.372 . . . . 1.8 107.297 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.6 -117.08 5.01 Favored Glycine 0 N--CA 1.44 -1.072 0 N-CA-C 110.373 -1.091 . . . . 1.82 110.373 -177.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -89.72 92.41 9.05 Favored 'General case' 0 CA--C 1.49 -1.353 0 CA-C-O 121.043 0.449 . . . . 2.57 110.49 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -134.14 13.42 3.9 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.246 -0.65 . . . . 0.73 109.246 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.65 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 3.2 mm? -72.38 -33.3 67.12 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.917 -0.583 . . . . 1.26 112.228 -173.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.566 ' HB3' HH22 ' A' ' 72' ' ' ARG . 4.1 p30 -103.27 5.4 37.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.664 0.268 . . . . 2.24 111.188 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.7 tp -73.17 108.61 6.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.124 -1.065 . . . . 1.73 108.124 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 35.0 mtm180 -69.49 131.28 44.48 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-O 120.957 0.408 . . . . 3.1 111.493 -174.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -55.0 -34.84 63.76 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.025 -0.989 . . . . 0.43 111.611 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.91 -38.69 70.57 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 123.813 0.696 . . . . 2.48 110.935 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.29 -39.71 62.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.034 -0.53 . . . . 2.01 110.985 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -88.04 21.65 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 113.294 0.85 . . . . 0.65 113.294 -176.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.08 13.15 79.49 Favored Glycine 0 C--O 1.239 0.407 0 CA-C-N 115.84 -0.618 . . . . 0.55 114.609 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.581 ' OH ' ' HB2' ' A' ' 18' ' ' ALA . 6.3 m-85 -86.34 121.7 29.27 Favored 'General case' 0 N--CA 1.428 -1.525 0 CA-C-N 117.245 0.522 . . . . 1.1 111.544 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -85.95 149.21 25.36 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.518 -1.29 . . . . 1.89 107.518 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.497 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 14.4 m -60.43 -20.7 60.73 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.058 0.456 . . . . 0.88 111.912 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.13 -38.88 89.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.28 0.562 . . . . 1.7 109.634 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.32 -21.44 60.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.686 -0.688 . . . . 0.46 110.193 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.497 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 55.0 mt -73.49 -33.43 64.81 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.338 -0.616 . . . . 0.31 109.338 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 63.6 mtt -65.08 -44.29 89.37 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 107.957 -1.127 . . . . 1.7 107.957 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.609 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 12.1 tp10 -57.61 -34.5 69.34 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.001 0.92 . . . . 1.92 110.551 175.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.489 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 64.6 m -68.5 -55.86 10.33 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.902 -0.59 . . . . 0.43 109.958 177.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -61.6 -36.2 80.03 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.527 -0.306 . . . . 0.29 111.758 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . -52.87 -45.49 67.47 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 123.967 0.907 . . . . 0.38 113.049 -178.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.599 ' HD2' ' HB1' ' A' ' 13' ' ' ALA . 10.0 ptp180 -69.24 -30.8 69.01 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.436 -0.506 . . . . 2.54 110.397 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.502 HD22 HD22 ' A' ' 5' ' ' LEU . 90.4 mt -75.73 -35.57 60.2 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.831 -0.622 . . . . 0.4 109.541 -178.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.545 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.4 mt-10 -57.84 -55.6 32.8 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.771 -0.825 . . . . 0.64 108.771 174.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.2 t -62.4 -34.81 77.46 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 114.965 -1.016 . . . . 1.33 112.517 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -77.34 -32.24 55.04 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.934 -0.706 . . . . 3.79 112.179 -176.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -107.47 -12.72 15.24 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.253 1.205 . . . . 1.17 114.253 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.92 65.5 1.7 Allowed Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.497 -0.859 . . . . 0.91 111.765 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 53' ' ' GLU . 8.3 p -146.24 168.71 6.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 N-CA-C 107.922 -1.14 . . . . 1.17 107.922 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 p -134.88 125.31 26.5 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 118.386 0.539 . . . . 1.6 110.054 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.842 HD12 HD13 ' A' ' 78' ' ' ILE . 54.8 mt -130.37 121.83 19.64 Favored Pre-proline 0 C--N 1.302 -1.47 0 CA-C-N 116.39 -0.368 . . . . 0.95 110.016 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HB2' HG23 ' A' ' 64' ' ' VAL . 51.4 Cg_exo -56.23 151.64 42.65 Favored 'Trans proline' 0 C--O 1.25 1.091 0 C-N-CA 123.516 2.811 . . . . 0.69 114.007 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.81 -54.79 33.41 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 126.23 1.812 . . . . 2.19 110.341 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -60.13 -27.26 66.91 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.785 -1.098 . . . . 2.48 112.171 -175.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.562 HG12 HD13 ' A' ' 77' ' ' LEU . 85.2 t -71.78 -58.69 4.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 109.396 -0.594 . . . . 0.56 109.396 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.74 -38.42 85.08 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.756 -0.657 . . . . 0.51 110.251 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.43 42.23 3.01 Favored Glycine 0 N--CA 1.436 -1.363 0 CA-C-N 115.712 -0.677 . . . . 0.97 112.326 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -134.53 -32.53 1.02 Allowed 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 122.688 0.395 . . . . 3.52 110.847 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.6 m -62.54 134.66 27.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 112.859 0.689 . . . . 0.5 112.859 -176.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 6.6 m-20 -93.18 -33.6 13.94 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 108.391 -0.966 . . . . 1.88 108.391 179.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.541 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 38.8 p -113.9 141.88 26.91 Favored Pre-proline 0 N--CA 1.436 -1.134 0 CA-C-N 115.048 -0.978 . . . . 0.43 111.671 -175.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 70' ' ' THR . 52.9 Cg_exo -61.03 -24.17 78.97 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.593 2.862 . . . . 0.34 111.83 178.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.65 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.7 ttm180 -59.17 -39.99 84.23 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.004 -0.544 . . . . 2.05 109.57 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.606 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.4 mm-40 -77.49 -33.45 54.48 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 115.92 -0.582 . . . . 2.23 110.925 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.66 -40.79 96.05 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.512 -0.921 . . . . 1.17 108.512 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HB2' HD22 ' A' ' 10' ' ' LEU . 46.5 tp -60.28 -45.92 91.63 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.871 0.843 . . . . 0.6 108.956 174.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.87 -36.92 85.92 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.247 -1.342 . . . . 0.89 111.835 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 87.1 mt -59.23 -52.38 65.92 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 110.265 -0.272 . . . . 1.06 110.265 177.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.842 HD13 HD12 ' A' ' 60' ' ' ILE . 41.3 mm -64.35 -63.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.333 -0.849 . . . . 0.62 110.056 -178.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.03 -34.51 73.48 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 122.946 0.498 . . . . 1.45 112.135 -175.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -39.67 90.24 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.155 -0.778 . . . . 0.48 111.155 177.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.45 -26.27 60.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.216 0.531 . . . . 0.56 110.142 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 78' ' ' ILE . 96.8 mt -70.83 -37.97 73.22 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.452 -0.573 . . . . 0.72 109.452 174.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.95 -14.4 62.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.644 0.735 . . . . 0.93 110.708 176.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -80.9 -15.73 55.51 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.525 0.678 . . . . 2.7 109.387 176.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.35 133.31 34.53 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 109.659 -0.497 . . . . 2.73 109.659 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.912 0 N-CA-C 107.263 -1.384 . . . . 5.02 107.263 178.801 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 CA--C 1.512 -0.515 0 N-CA-C 109.323 -0.621 . . . . 5.31 109.323 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 82' ' ' LEU . . . -157.0 138.44 13.91 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 110.205 -0.294 . . . . 1.46 110.205 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.406 HG23 ' HD1' ' A' ' 56' ' ' TYR . 5.6 t -111.15 104.75 13.3 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.579 -1.267 . . . . 1.7 107.579 174.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.546 ' HB2' HD22 ' A' ' 79' ' ' ASN . 4.0 pp -97.64 158.92 15.24 Favored 'General case' 0 N--CA 1.412 -2.347 0 CA-C-N 115.371 -0.831 . . . . 1.02 109.537 -179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.701 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 4.0 pp -104.58 148.92 25.98 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 112.189 0.44 . . . . 1.37 112.189 -175.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.6 p -96.46 -170.14 2.03 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 115.43 -0.804 . . . . 0.88 110.813 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.401 HG23 HD21 ' A' ' 31' ' ' LEU . 26.2 m -55.52 -54.51 43.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.685 0.794 . . . . 0.7 109.887 178.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -62.99 -32.22 73.51 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 113.568 0.951 . . . . 2.29 113.568 -179.19 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 49.6 m-20 -69.77 -42.04 74.34 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.384 -0.526 . . . . 1.83 109.623 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 75' ' ' LEU . 62.3 tp -65.23 -42.89 92.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.913 -0.773 . . . . 0.75 108.913 176.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 15' ' ' VAL . 56.3 ttt180 -49.64 -61.12 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.75 1.22 . . . . 2.88 111.249 176.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' HE ' ' HA ' ' A' ' 9' ' ' ASP . 17.4 ptt180 -65.11 -27.93 69.09 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.799 0.666 . . . . 3.46 112.799 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.419 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -72.99 -38.21 66.71 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.175 -0.466 . . . . 0.63 110.599 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.46 -40.07 67.29 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.959 -0.564 . . . . 0.62 109.529 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 11' ' ' ARG . 97.2 t -57.71 -35.2 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-O 121.44 0.638 . . . . 0.74 109.526 175.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -69.58 -35.15 75.08 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.996 -1.002 . . . . 2.04 110.531 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.7 m -63.81 -44.3 93.67 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.399 -0.364 . . . . 1.3 110.949 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.56 -43.3 73.19 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.575 -0.528 . . . . 1.93 109.575 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.78 -75.28 1.48 Allowed Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.084 -0.962 . . . . 2.29 113.414 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -76.74 94.06 3.77 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.124 0.488 . . . . 5.38 111.719 -174.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.3 p 47.13 79.52 0.06 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.818 1.647 . . . . 6.11 115.081 173.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -129.93 143.96 51.07 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 121.199 0.523 . . . . 5.17 110.609 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.08 44.56 0.19 Allowed Glycine 0 N--CA 1.42 -2.433 0 N-CA-C 108.608 -1.797 . . . . 3.06 108.608 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -84.49 81.59 8.78 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.605 0.717 . . . . 2.78 111.348 -173.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 78.81 6.25 2.3 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.552 1.141 . . . . 2.9 112.757 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.82 -19.73 63.46 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.974 0.416 . . . . 1.38 111.544 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.2 m -75.37 120.46 20.85 Favored 'General case' 0 N--CA 1.427 -1.597 0 CA-C-N 115.931 -0.577 . . . . 1.8 109.891 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.27 -130.81 10.36 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 120.698 -0.763 . . . . 1.82 112.417 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -101.96 106.31 17.21 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.892 -0.781 . . . . 2.57 108.892 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' HA ' HD12 ' A' ' 33' ' ' LEU . 24.5 p90 -120.04 16.62 12.49 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 116.16 -0.473 . . . . 0.73 110.964 -177.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 2.5 mm? -77.67 -30.24 51.91 Favored 'General case' 0 C--N 1.312 -1.031 0 O-C-N 122.083 -0.385 . . . . 1.26 110.686 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.12 -5.17 56.8 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.415 -0.811 . . . . 2.24 109.403 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 30' ' ' PHE . 81.1 mt -92.26 97.99 11.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 115.452 -0.794 . . . . 1.73 109.366 -177.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -59.08 151.95 21.26 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 115.198 -0.91 . . . . 3.1 111.736 -177.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.607 ' HA ' HG12 ' A' ' 38' ' ' ILE . 84.0 m-85 -63.6 -25.67 68.34 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.264 -0.88 . . . . 0.43 111.701 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.88 -23.23 67.17 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.636 -0.711 . . . . 2.48 111.567 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -83.47 -43.91 15.3 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 109.408 -0.59 . . . . 2.01 109.408 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.607 HG12 ' HA ' ' A' ' 35' ' ' PHE . 35.5 pt -82.6 17.08 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 113.502 0.927 . . . . 0.65 113.502 -175.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.65 22.37 75.2 Favored Glycine 0 C--O 1.242 0.64 0 N-CA-C 114.446 0.538 . . . . 0.55 114.446 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -88.88 143.21 27.04 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.656 0.984 . . . . 1.1 113.656 -176.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -99.56 152.21 20.29 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.538 -1.653 . . . . 1.89 106.538 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.556 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 43.2 m -67.08 -24.37 65.95 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.257 0.551 . . . . 0.88 111.263 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.7 -27.01 65.57 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.822 0.82 . . . . 1.7 109.557 176.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 47' ' ' GLU . . . -81.64 -18.49 44.43 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.125 -0.943 . . . . 0.46 109.964 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.556 ' HG ' ' HA ' ' A' ' 42' ' ' SER . 35.6 mt -74.71 -34.97 62.7 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.809 -0.811 . . . . 0.31 108.809 177.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtp -63.72 -42.17 97.97 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 114.898 -1.046 . . . . 1.7 108.981 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 14.2 tp10 -55.22 -45.04 75.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.823 0.849 . . . . 1.92 109.789 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.6 m -64.29 -58.03 7.7 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.058 -0.974 . . . . 0.43 110.953 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.437 ' HB2' HD21 ' A' ' 74' ' ' LEU . . . -61.81 -34.18 75.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.351 0.5 . . . . 0.29 112.351 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.22 71.6 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 123.107 0.563 . . . . 0.38 112.331 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -73.87 -28.66 61.68 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.028 -0.669 . . . . 2.54 109.712 -178.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.419 HD21 ' CB ' ' A' ' 13' ' ' ALA . 75.2 mt -72.58 -40.56 66.49 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.418 -0.81 . . . . 0.4 109.509 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HA ' HG12 ' A' ' 58' ' ' VAL . 44.5 mt-10 -57.75 -49.04 77.91 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.693 -0.685 . . . . 0.64 109.569 175.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 m -62.76 -43.6 98.38 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.338 -1.301 . . . . 1.33 112.037 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -83.65 -37.83 22.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.713 0.635 . . . . 3.79 112.713 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.406 ' HD1' HG23 ' A' ' 3' ' ' THR . 85.5 m-85 -97.76 -10.51 24.73 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.177 0.806 . . . . 1.17 113.177 -173.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.21 58.54 2.3 Favored Glycine 0 CA--C 1.508 -0.387 0 C-N-CA 121.071 -0.585 . . . . 0.91 113.339 174.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.496 ' HB ' HD21 ' A' ' 82' ' ' LEU . 11.9 p -142.4 169.69 12.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 108.768 -0.826 . . . . 1.17 108.768 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.9 m -128.59 124.37 35.7 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.323 -0.621 . . . . 1.6 109.323 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.466 HD11 HD13 ' A' ' 78' ' ' ILE . 67.0 mt -124.77 111.71 27.39 Favored Pre-proline 0 C--N 1.306 -1.311 0 N-CA-C 109.313 -0.625 . . . . 0.95 109.313 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.582 ' HB2' HG23 ' A' ' 64' ' ' VAL . 54.6 Cg_exo -53.91 145.27 52.17 Favored 'Trans proline' 0 C--O 1.252 1.203 0 C-N-CA 122.761 2.307 . . . . 0.69 112.103 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -57.08 -37.28 71.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.452 1.101 . . . . 2.19 112.426 -175.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -69.81 -31.61 69.6 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 123.285 0.634 . . . . 2.48 111.096 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.582 HG23 ' HB2' ' A' ' 61' ' ' PRO . 58.8 t -71.12 -58.87 4.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 N-CA-C 109.031 -0.729 . . . . 0.56 109.031 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.94 70.45 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.001 -1.0 . . . . 0.51 111.078 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.51 31.44 5.48 Favored Glycine 0 N--CA 1.433 -1.521 0 C-N-CA 120.636 -0.792 . . . . 0.97 113.205 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -140.33 12.34 2.37 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 117.69 0.745 . . . . 3.52 110.598 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.5 HG21 HD23 ' A' ' 74' ' ' LEU . 19.0 m -94.97 105.59 17.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 O-C-N 121.346 -0.847 . . . . 0.5 111.103 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.49 -43.66 93.45 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.693 0.627 . . . . 1.88 112.693 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.1 p -107.19 143.74 27.75 Favored Pre-proline 0 C--N 1.306 -1.325 0 C-N-CA 120.708 -0.397 . . . . 0.43 110.23 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 54.3 Cg_exo -57.86 -26.87 76.14 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.476 2.784 . . . . 0.34 112.182 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.501 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 45.1 ttm180 -61.23 -36.7 80.66 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.817 -0.629 . . . . 2.05 110.644 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 14.1 mm-40 -65.27 -37.42 87.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.53 -0.305 . . . . 2.23 111.251 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.5 HD23 HG21 ' A' ' 68' ' ' VAL . 2.2 tm? -73.61 -40.89 63.49 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 108.194 -1.039 . . . . 1.17 108.194 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.56 ' HB2' HD22 ' A' ' 10' ' ' LEU . 58.7 tp -58.23 -55.92 28.78 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.888 0.875 . . . . 0.6 109.881 176.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.01 -34.35 77.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.659 -1.155 . . . . 0.89 111.201 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 73' ' ' GLU . 2.4 tt -55.11 -53.31 57.55 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.575 -1.268 . . . . 1.06 107.575 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.532 HG21 ' HG ' ' A' ' 5' ' ' LEU . 45.7 mm -58.29 -58.91 4.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.112 -0.949 . . . . 0.62 109.614 178.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.546 HD22 ' HB2' ' A' ' 4' ' ' LEU . 9.8 m120 -51.87 -54.99 22.81 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.082 0.864 . . . . 1.45 111.462 -176.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.34 -46.73 92.13 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.707 -0.679 . . . . 0.48 113.439 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.29 94.55 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 117.029 0.414 . . . . 0.56 111.039 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.609 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 95.8 mt -70.4 -41.95 72.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.629 -0.714 . . . . 0.72 111.696 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.43 -37.19 84.64 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 120.575 0.226 . . . . 0.93 111.375 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -65.12 -48.95 71.81 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 109.477 -0.564 . . . . 2.7 109.477 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 57.8 103.44 0.02 OUTLIER 'General case' 0 C--O 1.238 0.483 0 C-N-CA 124.933 1.293 . . . . 2.73 113.115 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.666 0 N-CA-C 108.231 -1.025 . . . . 5.02 108.231 178.684 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_